Organic acids and derivatives
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(S)-(+)-2-Methylbutyric acid, 98%
CAS: 1730-91-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00063166 InChI Key: WLAMNBDJUVNPJU-BYPYZUCNSA-N Synonym: s-+-2-methylbutyric acid,s-2-methylbutanoic acid,s-2-methylbutyric acid,2s-2-methylbutanoic acid,2-methylbutyric acid, s,s-+-2-methylbutanoic acid,smb,s-2-methylbutanoate,butanoic acid, 2-methyl-, s,+-2-methylbutanoic acid PubChem CID: 448893 ChEBI: CHEBI:38655 IUPAC Name: (2S)-2-methylbutanoic acid SMILES: CCC(C)C(=O)O
| PubChem CID | 448893 |
|---|---|
| CAS | 1730-91-2 |
| Molecular Weight (g/mol) | 102.13 |
| ChEBI | CHEBI:38655 |
| MDL Number | MFCD00063166 |
| SMILES | CCC(C)C(=O)O |
| Synonym | s-+-2-methylbutyric acid,s-2-methylbutanoic acid,s-2-methylbutyric acid,2s-2-methylbutanoic acid,2-methylbutyric acid, s,s-+-2-methylbutanoic acid,smb,s-2-methylbutanoate,butanoic acid, 2-methyl-, s,+-2-methylbutanoic acid |
| IUPAC Name | (2S)-2-methylbutanoic acid |
| InChI Key | WLAMNBDJUVNPJU-BYPYZUCNSA-N |
| Molecular Formula | C5H10O2 |
1-Naphthyl butyrate, 98%
CAS: 3121-70-8 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00003923 InChI Key: XIVJNRXPRQKFRZ-UHFFFAOYSA-N Synonym: 1-naphthyl butyrate,.alpha.-naphthyl butyrate,alpha-naphthyl butyrate,naphthalen-1-yl butyrate,butanoic acid, 1-naphthalenyl ester,butyric acid, 1-naphthyl ester,1-naphthylbutyrate,unii-9uzl9u0cik,butyric acid 1-naphthyl ester,9uzl9u0cik PubChem CID: 76571 IUPAC Name: naphthalen-1-yl butanoate SMILES: CCCC(=O)OC1=CC=CC2=CC=CC=C21
| PubChem CID | 76571 |
|---|---|
| CAS | 3121-70-8 |
| Molecular Weight (g/mol) | 214.26 |
| MDL Number | MFCD00003923 |
| SMILES | CCCC(=O)OC1=CC=CC2=CC=CC=C21 |
| Synonym | 1-naphthyl butyrate,.alpha.-naphthyl butyrate,alpha-naphthyl butyrate,naphthalen-1-yl butyrate,butanoic acid, 1-naphthalenyl ester,butyric acid, 1-naphthyl ester,1-naphthylbutyrate,unii-9uzl9u0cik,butyric acid 1-naphthyl ester,9uzl9u0cik |
| IUPAC Name | naphthalen-1-yl butanoate |
| InChI Key | XIVJNRXPRQKFRZ-UHFFFAOYSA-N |
| Molecular Formula | C14H14O2 |
Cyclobutanecarboxylic acid, 97%
CAS: 3721-95-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00001323 InChI Key: TXWOGHSRPAYOML-UHFFFAOYSA-N Synonym: cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid PubChem CID: 19494 IUPAC Name: cyclobutanecarboxylic acid SMILES: OC(=O)C1CCC1
| PubChem CID | 19494 |
|---|---|
| CAS | 3721-95-7 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00001323 |
| SMILES | OC(=O)C1CCC1 |
| Synonym | cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid |
| IUPAC Name | cyclobutanecarboxylic acid |
| InChI Key | TXWOGHSRPAYOML-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Ethyl 2-pyridineacetate, 98%
CAS: 2739-98-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00006359 InChI Key: IUDKTVXSXWAKJO-UHFFFAOYSA-N Synonym: ethyl 2-pyridylacetate,ethyl 2-pyridin-2-yl acetate,ethyl 2-pyridinylacetate,ethyl pyridine-2-acetate,2-pyridineacetic acid ethyl ester,ethyl 2-pyridineacetate,ethyl 2-2-pyridyl acetate,2-pyridylacetic acid ethyl ester,ethyl pyridin-2-ylacetate,2-pyridineacetic acid, ethyl ester PubChem CID: 75960 IUPAC Name: ethyl 2-pyridin-2-ylacetate SMILES: CCOC(=O)CC1=CC=CC=N1
| PubChem CID | 75960 |
|---|---|
| CAS | 2739-98-2 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00006359 |
| SMILES | CCOC(=O)CC1=CC=CC=N1 |
| Synonym | ethyl 2-pyridylacetate,ethyl 2-pyridin-2-yl acetate,ethyl 2-pyridinylacetate,ethyl pyridine-2-acetate,2-pyridineacetic acid ethyl ester,ethyl 2-pyridineacetate,ethyl 2-2-pyridyl acetate,2-pyridylacetic acid ethyl ester,ethyl pyridin-2-ylacetate,2-pyridineacetic acid, ethyl ester |
| IUPAC Name | ethyl 2-pyridin-2-ylacetate |
| InChI Key | IUDKTVXSXWAKJO-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
| MDL Number | MFCD00002762 |
|---|
Ethyl diacetoacetate, 97%
CAS: 603-69-0 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00009864 InChI Key: YMCDYRGMTRCAPZ-UHFFFAOYSA-N PubChem CID: 79063 IUPAC Name: ethyl 2-acetyl-3-oxobutanoate SMILES: CCOC(=O)C(C(=O)C)C(=O)C
| PubChem CID | 79063 |
|---|---|
| CAS | 603-69-0 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00009864 |
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C |
| IUPAC Name | ethyl 2-acetyl-3-oxobutanoate |
| InChI Key | YMCDYRGMTRCAPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |
n-Butyl butyrate, 99%
CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC
| PubChem CID | 7983 |
|---|---|
| CAS | 109-21-7 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:87429 |
| MDL Number | MFCD00009450 |
| SMILES | CCCCOC(=O)CCC |
| Synonym | butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate |
| IUPAC Name | butyl butanoate |
| InChI Key | XUPYJHCZDLZNFP-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
3-(4-Nitrophenyl)propionic acid, 96%
CAS: 16642-79-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00126834 InChI Key: VZOPVJNBOQOLPN-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid PubChem CID: 85526 IUPAC Name: 3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 85526 |
|---|---|
| CAS | 16642-79-8 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00126834 |
| SMILES | OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid |
| IUPAC Name | 3-(4-nitrophenyl)propanoic acid |
| InChI Key | VZOPVJNBOQOLPN-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
3-(2-Fluorophenyl)propionic acid, 96%
CAS: 1643-26-1 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD01310820 InChI Key: GUZLQEOSDXLCKX-UHFFFAOYSA-N PubChem CID: 2063866 IUPAC Name: 3-(2-fluorophenyl)propanoic acid SMILES: C1=CC=C(C(=C1)CCC(=O)O)F
| PubChem CID | 2063866 |
|---|---|
| CAS | 1643-26-1 |
| Molecular Weight (g/mol) | 168.167 |
| MDL Number | MFCD01310820 |
| SMILES | C1=CC=C(C(=C1)CCC(=O)O)F |
| IUPAC Name | 3-(2-fluorophenyl)propanoic acid |
| InChI Key | GUZLQEOSDXLCKX-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
1-Cyano-1-cyclopropanecarboxylic acid, 97%
CAS: 6914-79-0 Molecular Formula: C5H4NO2 Molecular Weight (g/mol): 110.09 MDL Number: MFCD00190651 InChI Key: KSJJMSKNZVXAND-UHFFFAOYSA-M Synonym: 1-cyanocyclopropanecarboxylic acid,1-cyano-1-cyclopropanecarboxylic acid,cyanocyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-cyano,cyclopropane, 4,1-cyanocyclopropane-carboxylic acid,1-cyano-1-cyclopropanecarboxylicacid,1-cyano-cyclo-propanecarboxylic acid,1-cyano-1-cyclopropane carboxylic acid,1-cyano-1-cyclopropane-carboxylic acid PubChem CID: 2733259 IUPAC Name: 1-cyanocyclopropane-1-carboxylic acid SMILES: [O-]C(=O)C1(CC1)C#N
| PubChem CID | 2733259 |
|---|---|
| CAS | 6914-79-0 |
| Molecular Weight (g/mol) | 110.09 |
| MDL Number | MFCD00190651 |
| SMILES | [O-]C(=O)C1(CC1)C#N |
| Synonym | 1-cyanocyclopropanecarboxylic acid,1-cyano-1-cyclopropanecarboxylic acid,cyanocyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-cyano,cyclopropane, 4,1-cyanocyclopropane-carboxylic acid,1-cyano-1-cyclopropanecarboxylicacid,1-cyano-cyclo-propanecarboxylic acid,1-cyano-1-cyclopropane carboxylic acid,1-cyano-1-cyclopropane-carboxylic acid |
| IUPAC Name | 1-cyanocyclopropane-1-carboxylic acid |
| InChI Key | KSJJMSKNZVXAND-UHFFFAOYSA-M |
| Molecular Formula | C5H4NO2 |
1-Cyclohexene-1-carboxylic acid, 97%
CAS: 636-82-8 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00001545 InChI Key: NMEZJSDUZQOPFE-UHFFFAOYSA-N Synonym: 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid PubChem CID: 69470 ChEBI: CHEBI:29565 IUPAC Name: cyclohexene-1-carboxylic acid SMILES: C1CCC(=CC1)C(=O)O
| PubChem CID | 69470 |
|---|---|
| CAS | 636-82-8 |
| Molecular Weight (g/mol) | 126.155 |
| ChEBI | CHEBI:29565 |
| MDL Number | MFCD00001545 |
| SMILES | C1CCC(=CC1)C(=O)O |
| Synonym | 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid |
| IUPAC Name | cyclohexene-1-carboxylic acid |
| InChI Key | NMEZJSDUZQOPFE-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Diethyl (phthalimidomethyl)phosphonate, 97%
CAS: 33512-26-4 Molecular Formula: C13H16NO5P Molecular Weight (g/mol): 297.247 MDL Number: MFCD00134313 InChI Key: IUZMHUAHKBHJFY-UHFFFAOYSA-N Synonym: diethyl phthalimidomethyl phosphonate,diethyl 1,3-dioxoisoindolin-2-yl methyl phosphonate,phthalimidomethyl phosphonic acid diethyl ester,diethyl 1,3-dioxoisoindol-2-yl methylphosphonate,2-diethoxycarbonyl methyl benzo c azoline-1,3-dione,acmc-1cp9b,diethyl phthalimidomethylphosphonate,n-diethoxyphosphoryl methyl phthalimide PubChem CID: 1924456 IUPAC Name: 2-(diethoxyphosphorylmethyl)isoindole-1,3-dione SMILES: CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC
| PubChem CID | 1924456 |
|---|---|
| CAS | 33512-26-4 |
| Molecular Weight (g/mol) | 297.247 |
| MDL Number | MFCD00134313 |
| SMILES | CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC |
| Synonym | diethyl phthalimidomethyl phosphonate,diethyl 1,3-dioxoisoindolin-2-yl methyl phosphonate,phthalimidomethyl phosphonic acid diethyl ester,diethyl 1,3-dioxoisoindol-2-yl methylphosphonate,2-diethoxycarbonyl methyl benzo c azoline-1,3-dione,acmc-1cp9b,diethyl phthalimidomethylphosphonate,n-diethoxyphosphoryl methyl phthalimide |
| IUPAC Name | 2-(diethoxyphosphorylmethyl)isoindole-1,3-dione |
| InChI Key | IUZMHUAHKBHJFY-UHFFFAOYSA-N |
| Molecular Formula | C13H16NO5P |
1,3-Propanedisulfonic acid disodium salt, 99% (dry wt.)
CAS: 36589-58-9 Molecular Formula: C3H6Na2O6S2 Molecular Weight (g/mol): 248.175 MDL Number: MFCD00191483 InChI Key: DKGJFKPIUSHDIT-UHFFFAOYSA-L Synonym: eprodisate disodium,disodium 1,3-propanedisulfonate,kiacta,disodium propane-1,3-disulfonate,eprodisate sodium,unii-5x0d9h16iu,1,3-propanedisulfonic acid disodium salt,eprodisate disodium usan,1,3-propanedisulfonic acid, disodium salt PubChem CID: 6451143 IUPAC Name: disodium;propane-1,3-disulfonate SMILES: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 6451143 |
|---|---|
| CAS | 36589-58-9 |
| Molecular Weight (g/mol) | 248.175 |
| MDL Number | MFCD00191483 |
| SMILES | C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | eprodisate disodium,disodium 1,3-propanedisulfonate,kiacta,disodium propane-1,3-disulfonate,eprodisate sodium,unii-5x0d9h16iu,1,3-propanedisulfonic acid disodium salt,eprodisate disodium usan,1,3-propanedisulfonic acid, disodium salt |
| IUPAC Name | disodium;propane-1,3-disulfonate |
| InChI Key | DKGJFKPIUSHDIT-UHFFFAOYSA-L |
| Molecular Formula | C3H6Na2O6S2 |
1,4-Benzenediboronic acid, 96%
CAS: 4612-26-4 Molecular Formula: C6H8B2O4 Molecular Weight (g/mol): 165.746 MDL Number: MFCD00236018 InChI Key: BODYVHJTUHHINQ-UHFFFAOYSA-N Synonym: 1,4-benzenediboronic acid,1,4-phenylenediboronic acid,1,4-phenylenebisboronic acid,benzene-1,4-diboronic acid,4-boronophenyl boronic acid,p-benzenediboronic acid,p-phenylenediboronic acid,1,4-phenylenebis boronic acid,1,4 phenyl diboronic acid,boronic acid, 1,4-phenylenebis PubChem CID: 230478 IUPAC Name: (4-boronophenyl)boronic acid SMILES: B(C1=CC=C(C=C1)B(O)O)(O)O
| PubChem CID | 230478 |
|---|---|
| CAS | 4612-26-4 |
| Molecular Weight (g/mol) | 165.746 |
| MDL Number | MFCD00236018 |
| SMILES | B(C1=CC=C(C=C1)B(O)O)(O)O |
| Synonym | 1,4-benzenediboronic acid,1,4-phenylenediboronic acid,1,4-phenylenebisboronic acid,benzene-1,4-diboronic acid,4-boronophenyl boronic acid,p-benzenediboronic acid,p-phenylenediboronic acid,1,4-phenylenebis boronic acid,1,4 phenyl diboronic acid,boronic acid, 1,4-phenylenebis |
| IUPAC Name | (4-boronophenyl)boronic acid |
| InChI Key | BODYVHJTUHHINQ-UHFFFAOYSA-N |
| Molecular Formula | C6H8B2O4 |