Organic acids and derivatives
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Ethyl (S)-(+)-4-cyano-3-hydroxybutyrate, 97%, ee 98+%
CAS: 312745-91-8 Molecular Formula: C7H11NO3 Molecular Weight (g/mol): 157.17 MDL Number: MFCD00672878 InChI Key: LOQFROBMBSKWQY-UHFFFAOYNA-N Synonym: ethyl s-4-cyano-3-hydroxybutyrate,s-ethyl 4-cyano-3-hydroxybutanoate,ethyl 3s-4-cyano-3-hydroxybutanoate,s-ethyl-4-cyano-3-hydroxybutyrate,ethyl s-+-4-cyano-3-hydroxybutyrate,butanoic acid, 4-cyano-3-hydroxy-, ethyl ester, 3s,4-cyano-3-hydroxy-butyric acid ethyl ester,pubchem21112 PubChem CID: 7020868 IUPAC Name: ethyl (3S)-4-cyano-3-hydroxybutanoate SMILES: CCOC(=O)CC(O)CC#N
| PubChem CID | 7020868 |
|---|---|
| CAS | 312745-91-8 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00672878 |
| SMILES | CCOC(=O)CC(O)CC#N |
| Synonym | ethyl s-4-cyano-3-hydroxybutyrate,s-ethyl 4-cyano-3-hydroxybutanoate,ethyl 3s-4-cyano-3-hydroxybutanoate,s-ethyl-4-cyano-3-hydroxybutyrate,ethyl s-+-4-cyano-3-hydroxybutyrate,butanoic acid, 4-cyano-3-hydroxy-, ethyl ester, 3s,4-cyano-3-hydroxy-butyric acid ethyl ester,pubchem21112 |
| IUPAC Name | ethyl (3S)-4-cyano-3-hydroxybutanoate |
| InChI Key | LOQFROBMBSKWQY-UHFFFAOYNA-N |
| Molecular Formula | C7H11NO3 |
Lithium tartrate monohydrate, 99%
CAS: 6108-32-3 Molecular Formula: C4H6Li2O7 Molecular Weight (g/mol): 179.965 MDL Number: MFCD00054421 InChI Key: GNDOSKKVQUGWFB-UHFFFAOYSA-L Synonym: lithium tartrate monohydrate,lithium tartrate 1-hydrate,c4h4o6.2li.h2o,dilithium 1+ hydrate tartrate,dilithium 1+ ion hydrate tartrate,lithium 2,3-dihydroxybutanedioate-water 2/1/1 PubChem CID: 18463206 IUPAC Name: dilithium;2,3-dihydroxybutanedioate;hydrate SMILES: [Li+].[Li+].C(C(C(=O)[O-])O)(C(=O)[O-])O.O
| PubChem CID | 18463206 |
|---|---|
| CAS | 6108-32-3 |
| Molecular Weight (g/mol) | 179.965 |
| MDL Number | MFCD00054421 |
| SMILES | [Li+].[Li+].C(C(C(=O)[O-])O)(C(=O)[O-])O.O |
| Synonym | lithium tartrate monohydrate,lithium tartrate 1-hydrate,c4h4o6.2li.h2o,dilithium 1+ hydrate tartrate,dilithium 1+ ion hydrate tartrate,lithium 2,3-dihydroxybutanedioate-water 2/1/1 |
| IUPAC Name | dilithium;2,3-dihydroxybutanedioate;hydrate |
| InChI Key | GNDOSKKVQUGWFB-UHFFFAOYSA-L |
| Molecular Formula | C4H6Li2O7 |
Sodium Tartrate, Dihydrate, Purified, Spectrum™ Chemical
CAS: 6106-24-7 Molecular Formula: C4H8Na2O8 Molecular Weight (g/mol): 230.08 MDL Number: MFCD00150035 InChI Key: FGJLAJMGHXGFDE-UDMGOBQRNA-L IUPAC Name: disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate SMILES: O.O.[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6106-24-7 |
|---|---|
| Molecular Weight (g/mol) | 230.08 |
| MDL Number | MFCD00150035 |
| SMILES | O.O.[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate |
| InChI Key | FGJLAJMGHXGFDE-UDMGOBQRNA-L |
| Molecular Formula | C4H8Na2O8 |
Sodium Potassium Tartrate, Tetrahydrate, Powder, FCC, 99-102%, Spectrum™ Chemical
CAS: 6381-59-5 Molecular Formula: C4H12KNaO10 Molecular Weight (g/mol): 282.22 InChI Key: VZOPRCCTKLAGPN-ZFJVMAEJSA-L IUPAC Name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate SMILES: O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6381-59-5 |
|---|---|
| Molecular Weight (g/mol) | 282.22 |
| SMILES | O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate |
| InChI Key | VZOPRCCTKLAGPN-ZFJVMAEJSA-L |
| Molecular Formula | C4H12KNaO10 |
(+)-Di-tert-butyl L-tartrate, 99%
CAS: 117384-45-9 Molecular Formula: C12H22O6 Molecular Weight (g/mol): 262.30 MDL Number: MFCD00192000 InChI Key: ITWOKJQQGHCDBL-UHFFFAOYNA-N Synonym: +-di-tert-butyl l-tartrate,di-tert-butyl l-+-tartrate,2r,3r-di-tert-butyl 2,3-dihydroxysuccinate,di-t-butyl l-tartrate,r,r-di-tert-butyl-tartrat,di-tert-butyll-+-tartrate,l-tartaric acid di-tert-butyl ester,l-+-tartaric acid di-tert-butyl ester,1,4-di-tert-butyl 2r,3r-2,3-dihydroxybutanedioate PubChem CID: 9943166 IUPAC Name: ditert-butyl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CC(C)(C)OC(=O)C(O)C(O)C(=O)OC(C)(C)C
| PubChem CID | 9943166 |
|---|---|
| CAS | 117384-45-9 |
| Molecular Weight (g/mol) | 262.30 |
| MDL Number | MFCD00192000 |
| SMILES | CC(C)(C)OC(=O)C(O)C(O)C(=O)OC(C)(C)C |
| Synonym | +-di-tert-butyl l-tartrate,di-tert-butyl l-+-tartrate,2r,3r-di-tert-butyl 2,3-dihydroxysuccinate,di-t-butyl l-tartrate,r,r-di-tert-butyl-tartrat,di-tert-butyll-+-tartrate,l-tartaric acid di-tert-butyl ester,l-+-tartaric acid di-tert-butyl ester,1,4-di-tert-butyl 2r,3r-2,3-dihydroxybutanedioate |
| IUPAC Name | ditert-butyl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | ITWOKJQQGHCDBL-UHFFFAOYNA-N |
| Molecular Formula | C12H22O6 |
Ethyl 1-(hydroxymethyl)cyclopentanecarboxylate, 97%, Thermo Scientific Chemicals
CAS: 1075-82-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD12022629 InChI Key: AUUICUZWYQYTNO-UHFFFAOYSA-N Synonym: ethyl 1-hydroxymethyl cyclopentanecarboxylate,ethyl 1-hydroxymethyl cyclopentane-1-carboxylate,1-hydroxymethyl-cyclopentanecarboxylic acid ethyl ester PubChem CID: 46172884 IUPAC Name: ethyl 1-(hydroxymethyl)cyclopentane-1-carboxylate SMILES: CCOC(=O)C1(CCCC1)CO
| PubChem CID | 46172884 |
|---|---|
| CAS | 1075-82-7 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD12022629 |
| SMILES | CCOC(=O)C1(CCCC1)CO |
| Synonym | ethyl 1-hydroxymethyl cyclopentanecarboxylate,ethyl 1-hydroxymethyl cyclopentane-1-carboxylate,1-hydroxymethyl-cyclopentanecarboxylic acid ethyl ester |
| IUPAC Name | ethyl 1-(hydroxymethyl)cyclopentane-1-carboxylate |
| InChI Key | AUUICUZWYQYTNO-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Sodium Potassium Tartrate, Tetrahydrate, Granular, FCC, 99-102%, Spectrum™ Chemical
CAS: 6381-59-5 Molecular Formula: C4H12KNaO10 Molecular Weight (g/mol): 282.22 InChI Key: VZOPRCCTKLAGPN-ZFJVMAEJSA-L IUPAC Name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate SMILES: O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6381-59-5 |
|---|---|
| Molecular Weight (g/mol) | 282.22 |
| SMILES | O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate |
| InChI Key | VZOPRCCTKLAGPN-ZFJVMAEJSA-L |
| Molecular Formula | C4H12KNaO10 |
3-Hydroxybutyric acid, 97%
CAS: 300-85-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00004546 InChI Key: WHBMMWSBFZVSSR-UHFFFAOYSA-N Synonym: 3-hydroxybutyric acid,butanoic acid, 3-hydroxy,beta-hydroxybutyric acid,dl-beta-hydroxybutyric acid,beta-hydroxybuttersaeure,3 hba,3-hydroxybuttersaeure,beta-hydroxy-n-butyric acid,3 hydroxybutyrate,butyric acid, 3-hydroxy PubChem CID: 441 ChEBI: CHEBI:20067 IUPAC Name: 3-hydroxybutanoic acid SMILES: CC(CC(=O)O)O
| PubChem CID | 441 |
|---|---|
| CAS | 300-85-6 |
| Molecular Weight (g/mol) | 104.105 |
| ChEBI | CHEBI:20067 |
| MDL Number | MFCD00004546 |
| SMILES | CC(CC(=O)O)O |
| Synonym | 3-hydroxybutyric acid,butanoic acid, 3-hydroxy,beta-hydroxybutyric acid,dl-beta-hydroxybutyric acid,beta-hydroxybuttersaeure,3 hba,3-hydroxybuttersaeure,beta-hydroxy-n-butyric acid,3 hydroxybutyrate,butyric acid, 3-hydroxy |
| IUPAC Name | 3-hydroxybutanoic acid |
| InChI Key | WHBMMWSBFZVSSR-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
N-Boc-2-methyl-L-serine, 97%
CAS: 84311-19-3 Molecular Formula: C9H17NO5 Molecular Weight (g/mol): 219.24 MDL Number: MFCD02682593 InChI Key: FWRXDSRYWWYTPD-VIFPVBQESA-N Synonym: n-boc-alpha-methyl-l-serine,s-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,boc-alpha-methyl-l-ser,2s-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,s-2-boc-amino-3-hydroxy-2-methylpropionic acid,n-1,1-dimethylethyl oxy carbonyl-2-methylserine,serine, n-1,1-dimethylethoxy carbonyl-2-methyl,s-2-tert-butoxycarbonylamino-3-hydroxy-2-methylpropanoic acid,n-boc-a-methylserine,boc-a-methyl-l-ser PubChem CID: 12991620 IUPAC Name: (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)N[C@@](C)(CO)C(O)=O
| PubChem CID | 12991620 |
|---|---|
| CAS | 84311-19-3 |
| Molecular Weight (g/mol) | 219.24 |
| MDL Number | MFCD02682593 |
| SMILES | CC(C)(C)OC(=O)N[C@@](C)(CO)C(O)=O |
| Synonym | n-boc-alpha-methyl-l-serine,s-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,boc-alpha-methyl-l-ser,2s-2-tert-butoxycarbonyl amino-3-hydroxy-2-methylpropanoic acid,s-2-boc-amino-3-hydroxy-2-methylpropionic acid,n-1,1-dimethylethyl oxy carbonyl-2-methylserine,serine, n-1,1-dimethylethoxy carbonyl-2-methyl,s-2-tert-butoxycarbonylamino-3-hydroxy-2-methylpropanoic acid,n-boc-a-methylserine,boc-a-methyl-l-ser |
| IUPAC Name | (2S)-3-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI Key | FWRXDSRYWWYTPD-VIFPVBQESA-N |
| Molecular Formula | C9H17NO5 |
Ethyl 1-(hydroxymethyl)cyclopropanecarboxylate, 95%
CAS: 3697-68-5 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD09759206 InChI Key: PAILVKQSHRJIPE-UHFFFAOYSA-N Synonym: ethyl 1-hydroxymethyl cyclopropanecarboxylate,ethyl 1-hydroxymethyl-cyclopropanecarboxylate,1-hydroxymethyl-cyclopropanecarboxylic acid ethyl ester,ethyl 1-hydroxymethyl cyclopropane-1-carboxylate,ethyl 1-hydroxymethylcyclopropanecarboxylate,ethyl1-hydroxymethyl-cyclopropanecarboxylate,ethyl 1-hydroxymethyl-1-cyclopropanecarboxylate,1-hydroxymethyl-cyclopropanecarboxylic acid ethyl,1-hydroxymethylcyclopropanecarboxylic acid ethyl ester,1-hydroxymethyl cyclopropane carboxylic acid ethyl ester PubChem CID: 12450336 IUPAC Name: ethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate SMILES: CCOC(=O)C1(CO)CC1
| PubChem CID | 12450336 |
|---|---|
| CAS | 3697-68-5 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD09759206 |
| SMILES | CCOC(=O)C1(CO)CC1 |
| Synonym | ethyl 1-hydroxymethyl cyclopropanecarboxylate,ethyl 1-hydroxymethyl-cyclopropanecarboxylate,1-hydroxymethyl-cyclopropanecarboxylic acid ethyl ester,ethyl 1-hydroxymethyl cyclopropane-1-carboxylate,ethyl 1-hydroxymethylcyclopropanecarboxylate,ethyl1-hydroxymethyl-cyclopropanecarboxylate,ethyl 1-hydroxymethyl-1-cyclopropanecarboxylate,1-hydroxymethyl-cyclopropanecarboxylic acid ethyl,1-hydroxymethylcyclopropanecarboxylic acid ethyl ester,1-hydroxymethyl cyclopropane carboxylic acid ethyl ester |
| IUPAC Name | ethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate |
| InChI Key | PAILVKQSHRJIPE-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate, 97%, ee 96%
CAS: 90866-33-4 Molecular Formula: C6H11ClO3 Molecular Weight (g/mol): 166.601 MDL Number: MFCD00211242 InChI Key: ZAJNMXDBJKCCAT-RXMQYKEDSA-N Synonym: ethyl r-+-4-chloro-3-hydroxybutyrate,r-ethyl 4-chloro-3-hydroxybutanoate,ethyl 3r-4-chloro-3-hydroxybutanoate,ethyl r-4-chloro-3-hydroxybutyrate,ethyl r-+-4-chloro-3-hydroxybutanoate,r-4-chloro-3-hydroxybutyric acid ethyl ester,s-4-chloro-3-hydroxy-butyric acid ethyl ester,r-4-chloro-3-hydroxy-n-butyric acid ethyl ester,ethyl r-4-chloro-3-hydroxybutanoate,butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, 3r PubChem CID: 2734445 IUPAC Name: ethyl (3R)-4-chloro-3-hydroxybutanoate SMILES: CCOC(=O)CC(CCl)O
| PubChem CID | 2734445 |
|---|---|
| CAS | 90866-33-4 |
| Molecular Weight (g/mol) | 166.601 |
| MDL Number | MFCD00211242 |
| SMILES | CCOC(=O)CC(CCl)O |
| Synonym | ethyl r-+-4-chloro-3-hydroxybutyrate,r-ethyl 4-chloro-3-hydroxybutanoate,ethyl 3r-4-chloro-3-hydroxybutanoate,ethyl r-4-chloro-3-hydroxybutyrate,ethyl r-+-4-chloro-3-hydroxybutanoate,r-4-chloro-3-hydroxybutyric acid ethyl ester,s-4-chloro-3-hydroxy-butyric acid ethyl ester,r-4-chloro-3-hydroxy-n-butyric acid ethyl ester,ethyl r-4-chloro-3-hydroxybutanoate,butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, 3r |
| IUPAC Name | ethyl (3R)-4-chloro-3-hydroxybutanoate |
| InChI Key | ZAJNMXDBJKCCAT-RXMQYKEDSA-N |
| Molecular Formula | C6H11ClO3 |
3-Cyano-5-fluorophenylboronic acid, 97%, Thermo Scientific™
CAS: 304858-67-1 Molecular Formula: C7H5BFNO2 Molecular Weight (g/mol): 164.93 MDL Number: MFCD09263608 InChI Key: DLYWCECHXBOCAS-UHFFFAOYSA-N Synonym: 3-cyano-5-fluorophenyl boronic acid,3-cyano-5-fluorobenzeneboronic acid,3-borono-5-fluorobenzonitrile,boronic acid, 3-cyano-5-fluorophenyl-9ci,boronic acid, 3-cyano-5-fluorophenyl,pubchem17351,acmc-1csdr,ksc495g6d,3-cyano-5-fluorophenylboronicacid PubChem CID: 23435605 IUPAC Name: (3-cyano-5-fluorophenyl)boronic acid SMILES: OB(O)C1=CC(=CC(F)=C1)C#N
| PubChem CID | 23435605 |
|---|---|
| CAS | 304858-67-1 |
| Molecular Weight (g/mol) | 164.93 |
| MDL Number | MFCD09263608 |
| SMILES | OB(O)C1=CC(=CC(F)=C1)C#N |
| Synonym | 3-cyano-5-fluorophenyl boronic acid,3-cyano-5-fluorobenzeneboronic acid,3-borono-5-fluorobenzonitrile,boronic acid, 3-cyano-5-fluorophenyl-9ci,boronic acid, 3-cyano-5-fluorophenyl,pubchem17351,acmc-1csdr,ksc495g6d,3-cyano-5-fluorophenylboronicacid |
| IUPAC Name | (3-cyano-5-fluorophenyl)boronic acid |
| InChI Key | DLYWCECHXBOCAS-UHFFFAOYSA-N |
| Molecular Formula | C7H5BFNO2 |
Methyl cyclohexanecarboxylate, 98%
CAS: 4630-82-4 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001458 InChI Key: ZQWPRMPSCMSAJU-UHFFFAOYSA-N Synonym: cyclohexanecarboxylic acid, methyl ester,methyl cyclohexanoate,methyl cyclohexylcarboxylate,cyclohexanecarboxylic acid methyl ester,hexahydrobenzoic acid methyl ester,methyl cyclohexylformate,methyl hexahydrobenzoate,methyl cyclohexane carboxylate,fema no. 3568,methyl ester of cyclohexanecarboxylic acid PubChem CID: 20748 IUPAC Name: methyl cyclohexanecarboxylate SMILES: COC(=O)C1CCCCC1
| PubChem CID | 20748 |
|---|---|
| CAS | 4630-82-4 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00001458 |
| SMILES | COC(=O)C1CCCCC1 |
| Synonym | cyclohexanecarboxylic acid, methyl ester,methyl cyclohexanoate,methyl cyclohexylcarboxylate,cyclohexanecarboxylic acid methyl ester,hexahydrobenzoic acid methyl ester,methyl cyclohexylformate,methyl hexahydrobenzoate,methyl cyclohexane carboxylate,fema no. 3568,methyl ester of cyclohexanecarboxylic acid |
| IUPAC Name | methyl cyclohexanecarboxylate |
| InChI Key | ZQWPRMPSCMSAJU-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
2-Sulfobenzoic acid cyclic anhydride, 95%
CAS: 81-08-3 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.17 MDL Number: MFCD00005879 InChI Key: NCYNKWQXFADUOZ-UHFFFAOYSA-N Synonym: 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w PubChem CID: 65729 IUPAC Name: 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)OS2(=O)=O
| PubChem CID | 65729 |
|---|---|
| CAS | 81-08-3 |
| Molecular Weight (g/mol) | 184.17 |
| MDL Number | MFCD00005879 |
| SMILES | C1=CC=C2C(=C1)C(=O)OS2(=O)=O |
| Synonym | 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w |
| IUPAC Name | 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one |
| InChI Key | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4O4S |