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CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O

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Enediols

PubChem CID	54670067
CAS	50-81-7
Molecular Weight (g/mol)	176.12
ChEBI	CHEBI:29073
MDL Number	MFCD00064328
SMILES	OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Synonym	l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin
IUPAC Name	(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
InChI Key	CIWBSHSKHKDKBQ-DOMZIZNONA-N
Molecular Formula	C6H8O6

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Enediols

PubChem CID	54670067
CAS	50-81-7
Molecular Weight (g/mol)	176.12
ChEBI	CHEBI:29073
MDL Number	MFCD00064328
SMILES	OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
Synonym	l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin
IUPAC Name	(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
InChI Key	CIWBSHSKHKDKBQ-DOMZIZNONA-N
Molecular Formula	C6H8O6

Diethyl malonate, 99%

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

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Dicarbonyl Compounds

PubChem CID	7761
CAS	105-53-3
Molecular Weight (g/mol)	160.169
MDL Number	MFCD00009195
SMILES	CCOC(=O)CC(=O)OCC
Synonym	diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van
IUPAC Name	diethyl propanedioate
InChI Key	IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Molecular Formula	C7H12O4

D-Galacturonic acid monohydrate, 97%

CAS: 91510-62-2 Molecular Formula: C6H9O7 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00071585 InChI Key: AEMOLEFTQBMNLQ-DTEWXJGMSA-M Synonym: d-+-galacturonic acid monohydrate PubChem CID: 91872458 IUPAC Name: (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;hydrate SMILES: *

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Sugar acids and derivatives

PubChem CID	91872458
CAS	91510-62-2
Molecular Weight (g/mol)	0.00
MDL Number	MFCD00071585
SMILES	*
Synonym	d-+-galacturonic acid monohydrate
IUPAC Name	(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;hydrate
InChI Key	AEMOLEFTQBMNLQ-DTEWXJGMSA-M
Molecular Formula	C6H9O7

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Guanosine 5'-monophosphate, disodium salt hydrate, 97%

CAS: 5550-12-9 Molecular Formula: C10H12N5Na2O8P Molecular Weight (g/mol): 407.19 MDL Number: MFCD00151238 InChI Key: PVBRXXAAPNGWGE-KHRSEZDTNA-L PubChem CID: 21712 IUPAC Name: disodium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate SMILES: [Na+].[Na+].NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)C(=O)N1

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Monosaccharides

PubChem CID	21712
CAS	5550-12-9
Molecular Weight (g/mol)	407.19
MDL Number	MFCD00151238
SMILES	[Na+].[Na+].NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)C(=O)N1
IUPAC Name	disodium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI Key	PVBRXXAAPNGWGE-KHRSEZDTNA-L
Molecular Formula	C10H12N5Na2O8P

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2-Mercaptoethanol, 99%, pure

CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 SMILES: OCCS

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Alcohols and polyols

PubChem CID	1567
CAS	60-24-2
Molecular Weight (g/mol)	78.13
ChEBI	CHEBI:41218
MDL Number	MFCD00004890
SMILES	OCCS
Synonym	2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan
InChI Key	DGVVWUTYPXICAM-UHFFFAOYSA-N
Molecular Formula	C2H6OS

Isopropyl ether, 99+%, extra pure, stabilized with BHT

CAS: 108-20-3 MDL Number: MFCD00008880 InChI Key: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N Synonym: diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether PubChem CID: 7914 IUPAC Name: 2-propan-2-yloxypropane SMILES: CC(C)OC(C)C

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Enediols

PubChem CID	7914
CAS	108-20-3
MDL Number	MFCD00008880
SMILES	CC(C)OC(C)C
Synonym	diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether
IUPAC Name	2-propan-2-yloxypropane
InChI Key	ZAFNJMIOTHYJRJ-UHFFFAOYSA-N

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3-Methyl-1-butanol, ACS reagent

CAS: 123-51-3 Molecular Formula: C₅H₁₂O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO

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Alcohols and polyols

PubChem CID	31260
CAS	123-51-3
Molecular Weight (g/mol)	88.15
ChEBI	CHEBI:15837
MDL Number	MFCD00002934
SMILES	CC(C)CCO
Synonym	3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol
IUPAC Name	3-methylbutan-1-ol
InChI Key	PHTQWCKDNZKARW-UHFFFAOYSA-N
Molecular Formula	C₅H₁₂O

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tert-Butyl hydroperoxide, 70% Solution in water

CAS: 75-91-2 Molecular Formula: C₄H₁₀O₂ Molecular Weight (g/mol): 90.12 InChI Key: CIHOLLKRGTVIJN-UHFFFAOYSA-N Synonym: tert-butyl hydroperoxide,tbhp,t-butyl hydroperoxide,tert-butylhydroperoxide,perbutyl h,t-butylhydroperoxide,cadox tbh,hydroperoxide, 1,1-dimethylethyl,1,1-dimethylethyl hydroperoxide,terc. butylhydroperoxid PubChem CID: 6410 ChEBI: CHEBI:64090 IUPAC Name: 2-hydroperoxy-2-methylpropane SMILES: CC(C)(C)OO

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Organic hydroperoxides

PubChem CID	6410
CAS	75-91-2
Molecular Weight (g/mol)	90.12
ChEBI	CHEBI:64090
SMILES	CC(C)(C)OO
Synonym	tert-butyl hydroperoxide,tbhp,t-butyl hydroperoxide,tert-butylhydroperoxide,perbutyl h,t-butylhydroperoxide,cadox tbh,hydroperoxide, 1,1-dimethylethyl,1,1-dimethylethyl hydroperoxide,terc. butylhydroperoxid
IUPAC Name	2-hydroperoxy-2-methylpropane
InChI Key	CIHOLLKRGTVIJN-UHFFFAOYSA-N
Molecular Formula	C₄H₁₀O₂

2-n-Butoxyethanol, 99%

CAS: 111-76-2 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00002884 InChI Key: POAOYUHQDCAZBD-UHFFFAOYSA-N Synonym: butoxyethanol,butyl glycol,butyl cellosolve,ethylene glycol monobutyl ether,n-butoxyethanol,ethanol, 2-butoxy,ethylene glycol butyl ether,butyl oxitol,glycol butyl ether,glycol ether eb PubChem CID: 8133 ChEBI: CHEBI:63921 IUPAC Name: 2-butoxyethanol SMILES: CCCCOCCO

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Enediols

PubChem CID	8133
CAS	111-76-2
Molecular Weight (g/mol)	118.18
ChEBI	CHEBI:63921
MDL Number	MFCD00002884
SMILES	CCCCOCCO
Synonym	butoxyethanol,butyl glycol,butyl cellosolve,ethylene glycol monobutyl ether,n-butoxyethanol,ethanol, 2-butoxy,ethylene glycol butyl ether,butyl oxitol,glycol butyl ether,glycol ether eb
IUPAC Name	2-butoxyethanol
InChI Key	POAOYUHQDCAZBD-UHFFFAOYSA-N
Molecular Formula	C6H14O2

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Diethylene glycol, 99%, extra pure

CAS: 111-46-6 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.12 MDL Number: MFCD00002882 InChI Key: MTHSVFCYNBDYFN-UHFFFAOYSA-N Synonym: diethylene glycol,2,2'-oxydiethanol,diglycol,diethylenglykol,2-hydroxyethyl ether,bis 2-hydroxyethyl ether,ethanol, 2,2'-oxybis,2,2'-oxybisethanol,2-2-hydroxyethoxy ethanol,digol PubChem CID: 8117 ChEBI: CHEBI:46807 SMILES: OCCOCCO

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Enediols

PubChem CID	8117
CAS	111-46-6
Molecular Weight (g/mol)	106.12
ChEBI	CHEBI:46807
MDL Number	MFCD00002882
SMILES	OCCOCCO
Synonym	diethylene glycol,2,2'-oxydiethanol,diglycol,diethylenglykol,2-hydroxyethyl ether,bis 2-hydroxyethyl ether,ethanol, 2,2'-oxybis,2,2'-oxybisethanol,2-2-hydroxyethoxy ethanol,digol
InChI Key	MTHSVFCYNBDYFN-UHFFFAOYSA-N
Molecular Formula	C4H10O3

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DL-2-Methyl-1-butanol, 98%

CAS: 137-32-6 Molecular Formula: C₅H₁₂O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO

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Alcohols and polyols

PubChem CID	8723
CAS	137-32-6
Molecular Weight (g/mol)	88.15
ChEBI	CHEBI:48945
MDL Number	MFCD00004743
SMILES	CCC(C)CO
Synonym	2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol
IUPAC Name	2-methylbutan-1-ol
InChI Key	QPRQEDXDYOZYLA-UHFFFAOYSA-N
Molecular Formula	C₅H₁₂O

2-Ethyl-2-(hydroxymethyl)-1,3-propanediol, 98%

CAS: 77-99-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00004694 InChI Key: ZJCCRDAZUWHFQH-UHFFFAOYSA-N Synonym: trimethylolpropane,2-ethyl-2-hydroxymethyl propane-1,3-diol,ethriol,2-ethyl-2-hydroxymethyl-1,3-propanediol,hexaglycerine,ettriol,etriol,trimethylol propane,tmp alcohol,1,1,1-tris hydroxymethyl propane PubChem CID: 6510 IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol SMILES: CCC(CO)(CO)CO

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Alcohols and polyols

PubChem CID	6510
CAS	77-99-6
Molecular Weight (g/mol)	134.18
MDL Number	MFCD00004694
SMILES	CCC(CO)(CO)CO
Synonym	trimethylolpropane,2-ethyl-2-hydroxymethyl propane-1,3-diol,ethriol,2-ethyl-2-hydroxymethyl-1,3-propanediol,hexaglycerine,ettriol,etriol,trimethylol propane,tmp alcohol,1,1,1-tris hydroxymethyl propane
IUPAC Name	2-ethyl-2-(hydroxymethyl)propane-1,3-diol
InChI Key	ZJCCRDAZUWHFQH-UHFFFAOYSA-N
Molecular Formula	C6H14O3

3-Methyl-1-butanol, mixture of isomers, 99%

CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO

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Alcohols and polyols

PubChem CID	31260
CAS	123-51-3
Molecular Weight (g/mol)	88.15
ChEBI	CHEBI:15837
MDL Number	MFCD00002934
SMILES	CC(C)CCO
Synonym	3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol
IUPAC Name	3-methylbutan-1-ol
InChI Key	PHTQWCKDNZKARW-UHFFFAOYSA-N
Molecular Formula	C5H12O

Hydroxyacetone, 95%

CAS: 116-09-6 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00004669 InChI Key: XLSMFKSTNGKWQX-UHFFFAOYSA-N Synonym: hydroxyacetone,acetol,acetone alcohol,1-hydroxy-2-propanone,2-propanone, 1-hydroxy,1-hydroxyacetone,methanol, acetyl,acetylmethanol,acetylcarbinol,2-oxopropanol PubChem CID: 8299 ChEBI: CHEBI:27957 IUPAC Name: 1-hydroxypropan-2-one SMILES: CC(=O)CO

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Complex Ketones

PubChem CID	8299
CAS	116-09-6
Molecular Weight (g/mol)	74.079
ChEBI	CHEBI:27957
MDL Number	MFCD00004669
SMILES	CC(=O)CO
Synonym	hydroxyacetone,acetol,acetone alcohol,1-hydroxy-2-propanone,2-propanone, 1-hydroxy,1-hydroxyacetone,methanol, acetyl,acetylmethanol,acetylcarbinol,2-oxopropanol
IUPAC Name	1-hydroxypropan-2-one
InChI Key	XLSMFKSTNGKWQX-UHFFFAOYSA-N
Molecular Formula	C3H6O2

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