Organic acids and derivatives
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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
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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 |
Sodium Tartrate, Dihydrate, Crystal, Reagent, ACS, 99-101%, Spectrum™ Chemical
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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 |
Diethyl bis(hydroxymethyl)malonate, 95%
CAS: 20605-01-0 Molecular Formula: C9H16O6 Molecular Weight (g/mol): 220.22 MDL Number: MFCD00009130 InChI Key: WIOHBOKEUIHYIC-UHFFFAOYSA-N Synonym: diethyl bis hydroxymethyl malonate,diethyl 2,2-bis hydroxymethyl malonate,propanedioic acid, bis hydroxymethyl-, diethyl ester,1,3-diethyl 2,2-bis hydroxymethyl propanedioate,diethyl 2,2-bis hydroxymethyl propanedioate,2,2-bis hydroxymethyl malonic acid diethyl ester,bis hydroxymethyl malonic acid diethyl ester,diethyl 2,2-bis hydroxymethyl propane-1,3-dioate,acmc-20al8x,ksc490a8h PubChem CID: 311844 IUPAC Name: diethyl 2,2-bis(hydroxymethyl)propanedioate SMILES: CCOC(=O)C(CO)(CO)C(=O)OCC
| PubChem CID | 311844 |
|---|---|
| CAS | 20605-01-0 |
| Molecular Weight (g/mol) | 220.22 |
| MDL Number | MFCD00009130 |
| SMILES | CCOC(=O)C(CO)(CO)C(=O)OCC |
| Synonym | diethyl bis hydroxymethyl malonate,diethyl 2,2-bis hydroxymethyl malonate,propanedioic acid, bis hydroxymethyl-, diethyl ester,1,3-diethyl 2,2-bis hydroxymethyl propanedioate,diethyl 2,2-bis hydroxymethyl propanedioate,2,2-bis hydroxymethyl malonic acid diethyl ester,bis hydroxymethyl malonic acid diethyl ester,diethyl 2,2-bis hydroxymethyl propane-1,3-dioate,acmc-20al8x,ksc490a8h |
| IUPAC Name | diethyl 2,2-bis(hydroxymethyl)propanedioate |
| InChI Key | WIOHBOKEUIHYIC-UHFFFAOYSA-N |
| Molecular Formula | C9H16O6 |
Sodium Gluconate, USP, 98-102%, Spectrum™ Chemical
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CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.14 InChI Key: UPMFZISCCZSDND-UHFFFAOYNA-M IUPAC Name: sodium 2,3,4,5,6-pentahydroxyhexanoate SMILES: [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O
| CAS | 527-07-1 |
|---|---|
| Molecular Weight (g/mol) | 218.14 |
| SMILES | [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O |
| IUPAC Name | sodium 2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | UPMFZISCCZSDND-UHFFFAOYNA-M |
| Molecular Formula | C6H11NaO7 |
Sodium Tartrate, Dihydrate, Purified, Spectrum™ Chemical
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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 |
Ethyl 3-hydroxyhexanoate, 97%
CAS: 2305-25-1 Molecular Formula: C8H16O3 Molecular Weight (g/mol): 160.213 MDL Number: MFCD00036604 InChI Key: LYRIITRHDCNUHV-UHFFFAOYSA-N Synonym: hexanoic acid, 3-hydroxy-, ethyl ester,ethyl beta-hydroxycaproate,ethyl 3-hydroxy-hexanoate,ethyl hydroxy-3-hexanoate,3-hydroxyhexanoic acid ethyl ester,fema no. 3545,acmc-20lakf,ethyl 3-hydroxycaproate,ethyl-3-hydrixyhexanoate,ethyl 3-hydroxy hexanoate PubChem CID: 61293 ChEBI: CHEBI:23997 IUPAC Name: ethyl 3-hydroxyhexanoate SMILES: CCCC(CC(=O)OCC)O
| PubChem CID | 61293 |
|---|---|
| CAS | 2305-25-1 |
| Molecular Weight (g/mol) | 160.213 |
| ChEBI | CHEBI:23997 |
| MDL Number | MFCD00036604 |
| SMILES | CCCC(CC(=O)OCC)O |
| Synonym | hexanoic acid, 3-hydroxy-, ethyl ester,ethyl beta-hydroxycaproate,ethyl 3-hydroxy-hexanoate,ethyl hydroxy-3-hexanoate,3-hydroxyhexanoic acid ethyl ester,fema no. 3545,acmc-20lakf,ethyl 3-hydroxycaproate,ethyl-3-hydrixyhexanoate,ethyl 3-hydroxy hexanoate |
| IUPAC Name | ethyl 3-hydroxyhexanoate |
| InChI Key | LYRIITRHDCNUHV-UHFFFAOYSA-N |
| Molecular Formula | C8H16O3 |
Sodium Potassium Tartrate, Tetrahydrate, Powder, FCC, 99-102%, Spectrum™ Chemical
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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 |
L-(-)-Malic acid, 99%
CAS: 97-67-6 Molecular Formula: C4H6O5 Molecular Weight (g/mol): 134.087 MDL Number: MFCD00064213 InChI Key: BJEPYKJPYRNKOW-REOHCLBHSA-N Synonym: l-malic acid,l---malic acid,s-2-hydroxysuccinic acid,2s-2-hydroxybutanedioic acid,l--malic acid,apple acid,--malic acid,l-apple acid,s-malic acid,s-2-hydroxybutanedioic acid PubChem CID: 222656 ChEBI: CHEBI:30797 IUPAC Name: (2S)-2-hydroxybutanedioic acid SMILES: C(C(C(=O)O)O)C(=O)O
| PubChem CID | 222656 |
|---|---|
| CAS | 97-67-6 |
| Molecular Weight (g/mol) | 134.087 |
| ChEBI | CHEBI:30797 |
| MDL Number | MFCD00064213 |
| SMILES | C(C(C(=O)O)O)C(=O)O |
| Synonym | l-malic acid,l---malic acid,s-2-hydroxysuccinic acid,2s-2-hydroxybutanedioic acid,l--malic acid,apple acid,--malic acid,l-apple acid,s-malic acid,s-2-hydroxybutanedioic acid |
| IUPAC Name | (2S)-2-hydroxybutanedioic acid |
| InChI Key | BJEPYKJPYRNKOW-REOHCLBHSA-N |
| Molecular Formula | C4H6O5 |
(+)-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)cyclobutanecarboxylate, 97%
CAS: 1195-81-9 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD11707219 InChI Key: PWMQFMMZBJUHID-UHFFFAOYSA-N Synonym: ethyl 1-hydroxymethyl cyclobutane-1-carboxylate,ethyl 1-hydroxymethylcyclobutanecarboxylate,ethyl 1-hydroxymethyl cyclobutanecarboxylate,cyclobutanecarboxylic acid, 1-hydroxymethyl-, ethyl ester,ethyl 1-hydroxymethyl-cyclobutanecarboxylate,1-hydroxymethyl-cyclobutanecarboxylic acid ethyl ester PubChem CID: 15670506 IUPAC Name: ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate SMILES: CCOC(=O)C1(CCC1)CO
| PubChem CID | 15670506 |
|---|---|
| CAS | 1195-81-9 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD11707219 |
| SMILES | CCOC(=O)C1(CCC1)CO |
| Synonym | ethyl 1-hydroxymethyl cyclobutane-1-carboxylate,ethyl 1-hydroxymethylcyclobutanecarboxylate,ethyl 1-hydroxymethyl cyclobutanecarboxylate,cyclobutanecarboxylic acid, 1-hydroxymethyl-, ethyl ester,ethyl 1-hydroxymethyl-cyclobutanecarboxylate,1-hydroxymethyl-cyclobutanecarboxylic acid ethyl ester |
| IUPAC Name | ethyl 1-(hydroxymethyl)cyclobutane-1-carboxylate |
| InChI Key | PWMQFMMZBJUHID-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
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-Benzyloxycarbonyl-L-threonine, 99%
CAS: 19728-63-3 Molecular Formula: C12H15NO5 Molecular Weight (g/mol): 253.25 MDL Number: MFCD00065948 InChI Key: IPJUIRDNBFZGQN-SCZZXKLOSA-N Synonym: z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine PubChem CID: 88217 IUPAC Name: (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid SMILES: C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
| PubChem CID | 88217 |
|---|---|
| CAS | 19728-63-3 |
| Molecular Weight (g/mol) | 253.25 |
| MDL Number | MFCD00065948 |
| SMILES | C[C@@H](O)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O |
| Synonym | z-thr-oh,n-cbz-l-threonine,z-l-threonine,z-l-thr-oh,n-benzyloxycarbonyl-l-threonine,cbz-l-threonine,n-carbobenzyloxy-l-threonine,l-threonine, n-phenylmethoxy carbonyl,benzyloxycarbonyl-l-threonine,n-benzyloxy carbonyl-l-threonine |
| IUPAC Name | (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid |
| InChI Key | IPJUIRDNBFZGQN-SCZZXKLOSA-N |
| Molecular Formula | C12H15NO5 |
2,2-Bis(hydroxymethyl)propionic acid, 98+%
CAS: 4767-03-7 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00004199 InChI Key: PTBDIHRZYDMNKB-UHFFFAOYSA-N Synonym: 2,2-bis hydroxymethyl propionic acid,dimethylolpropionic acid,3-hydroxy-2-hydroxymethyl-2-methylpropanoic acid,2,2-bis hydroxymethyl propanoic acid,propanoic acid, 3-hydroxy-2-hydroxymethyl-2-methyl,2,2-dimethylolpropionic acid,dimethylol propionic acid,2,2-bis hydroxymethyl propanoicacid,unii-4nhi8v17mn,4nhi8v17mn PubChem CID: 78501 IUPAC Name: 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid SMILES: CC(CO)(CO)C(=O)O
| PubChem CID | 78501 |
|---|---|
| CAS | 4767-03-7 |
| Molecular Weight (g/mol) | 134.13 |
| MDL Number | MFCD00004199 |
| SMILES | CC(CO)(CO)C(=O)O |
| Synonym | 2,2-bis hydroxymethyl propionic acid,dimethylolpropionic acid,3-hydroxy-2-hydroxymethyl-2-methylpropanoic acid,2,2-bis hydroxymethyl propanoic acid,propanoic acid, 3-hydroxy-2-hydroxymethyl-2-methyl,2,2-dimethylolpropionic acid,dimethylol propionic acid,2,2-bis hydroxymethyl propanoicacid,unii-4nhi8v17mn,4nhi8v17mn |
| IUPAC Name | 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid |
| InChI Key | PTBDIHRZYDMNKB-UHFFFAOYSA-N |
| Molecular Formula | C5H10O4 |
3-Cyclohexene-1-carboxylic acid, 98%
CAS: 4771-80-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00013781 InChI Key: VUSWCWPCANWBFG-UHFFFAOYSA-N Synonym: 3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid PubChem CID: 20903 IUPAC Name: cyclohex-3-ene-1-carboxylic acid SMILES: C1CC(CC=C1)C(=O)O
| PubChem CID | 20903 |
|---|---|
| CAS | 4771-80-6 |
| Molecular Weight (g/mol) | 126.155 |
| MDL Number | MFCD00013781 |
| SMILES | C1CC(CC=C1)C(=O)O |
| Synonym | 3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid |
| IUPAC Name | cyclohex-3-ene-1-carboxylic acid |
| InChI Key | VUSWCWPCANWBFG-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |