Organic acids and derivatives
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Acamprosate Calcium 98.0+%, TCI America™
CAS: 77337-73-6 Molecular Formula: C10H20CaN2O8S2 Molecular Weight (g/mol): 400.474 MDL Number: MFCD00886588 InChI Key: BUVGWDNTAWHSKI-UHFFFAOYSA-L Synonym: Calcium 3-Acetamido-1-propanesulfonate, 3-Acetamido-1-propanesulfonic Acid Calcium Salt PubChem CID: 155434 ChEBI: CHEBI:51042 IUPAC Name: calcium;3-acetamidopropane-1-sulfonate SMILES: CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
| PubChem CID | 155434 |
|---|---|
| CAS | 77337-73-6 |
| Molecular Weight (g/mol) | 400.474 |
| ChEBI | CHEBI:51042 |
| MDL Number | MFCD00886588 |
| SMILES | CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2] |
| Synonym | Calcium 3-Acetamido-1-propanesulfonate, 3-Acetamido-1-propanesulfonic Acid Calcium Salt |
| IUPAC Name | calcium;3-acetamidopropane-1-sulfonate |
| InChI Key | BUVGWDNTAWHSKI-UHFFFAOYSA-L |
| Molecular Formula | C10H20CaN2O8S2 |
Ethyl DL-2-Methylbutyrate 98.0+%, TCI America™
CAS: 7452-79-1 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00012217 InChI Key: HCRBXQFHJMCTLF-UHFFFAOYSA-N Synonym: ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci PubChem CID: 24020 IUPAC Name: ethyl 2-methylbutanoate SMILES: CCC(C)C(=O)OCC
| PubChem CID | 24020 |
|---|---|
| CAS | 7452-79-1 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00012217 |
| SMILES | CCC(C)C(=O)OCC |
| Synonym | ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci |
| IUPAC Name | ethyl 2-methylbutanoate |
| InChI Key | HCRBXQFHJMCTLF-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Di-2-pyridyl Carbonate 98.0+%, TCI America™
CAS: 1659-31-0 Molecular Formula: C11H8N2O3 Molecular Weight (g/mol): 216.20 MDL Number: MFCD00191407 InChI Key: GCSAXWHQFYOIFE-UHFFFAOYSA-N Synonym: Carbonic Acid Di-2-pyridyl Ester PubChem CID: 2757370 IUPAC Name: bis(pyridin-2-yl) carbonate SMILES: O=C(OC1=CC=CC=N1)OC1=CC=CC=N1
| PubChem CID | 2757370 |
|---|---|
| CAS | 1659-31-0 |
| Molecular Weight (g/mol) | 216.20 |
| MDL Number | MFCD00191407 |
| SMILES | O=C(OC1=CC=CC=N1)OC1=CC=CC=N1 |
| Synonym | Carbonic Acid Di-2-pyridyl Ester |
| IUPAC Name | bis(pyridin-2-yl) carbonate |
| InChI Key | GCSAXWHQFYOIFE-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O3 |
4-Aminoantipyrine 99.0+%, TCI America™
CAS: 83-07-8 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.245 MDL Number: MFCD00003145 InChI Key: RLFWWDJHLFCNIJ-UHFFFAOYSA-N Synonym: 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a PubChem CID: 2151 ChEBI: CHEBI:59026 IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
| PubChem CID | 2151 |
|---|---|
| CAS | 83-07-8 |
| Molecular Weight (g/mol) | 203.245 |
| ChEBI | CHEBI:59026 |
| MDL Number | MFCD00003145 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N |
| Synonym | 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a |
| IUPAC Name | 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | RLFWWDJHLFCNIJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13N3O |
Sodium Pivalate Hydrate 98.0+%, TCI America™
CAS: 143174-36-1 Molecular Formula: C5H9NaO2 Molecular Weight (g/mol): 124.12 MDL Number: MFCD00150782 InChI Key: SJRDNQOIQZOVQD-UHFFFAOYSA-M Synonym: sodium trimethylacetate hydrate,sodium pivalate hydrate,sodium hydrate pivalate,propanoic acid, 2,2-dimethyl-, sodium salt, hydrate,acmc-20ajn9,sodiumtrimethylacetatehydrate,c5h9o2.na.h2o,trimethylacetic acid sodium salt hydrate,sodium 2,2-dimethylpropanoate-water 1/1/1 PubChem CID: 23666172 IUPAC Name: sodium 2,2-dimethylpropanoate SMILES: [Na+].CC(C)(C)C([O-])=O
| PubChem CID | 23666172 |
|---|---|
| CAS | 143174-36-1 |
| Molecular Weight (g/mol) | 124.12 |
| MDL Number | MFCD00150782 |
| SMILES | [Na+].CC(C)(C)C([O-])=O |
| Synonym | sodium trimethylacetate hydrate,sodium pivalate hydrate,sodium hydrate pivalate,propanoic acid, 2,2-dimethyl-, sodium salt, hydrate,acmc-20ajn9,sodiumtrimethylacetatehydrate,c5h9o2.na.h2o,trimethylacetic acid sodium salt hydrate,sodium 2,2-dimethylpropanoate-water 1/1/1 |
| IUPAC Name | sodium 2,2-dimethylpropanoate |
| InChI Key | SJRDNQOIQZOVQD-UHFFFAOYSA-M |
| Molecular Formula | C5H9NaO2 |
7-Fluoro-4-hydroxyquinazoline 98.0+%, TCI America™
CAS: 16499-57-3 Molecular Formula: C8H5FN2O Molecular Weight (g/mol): 164.139 MDL Number: MFCD05664874 InChI Key: KCORZHJVTZIZFD-UHFFFAOYSA-N Synonym: 7-Fluoro-4-quinazolinone, 7-Fluoro-4-quinazolinol PubChem CID: 7018323 IUPAC Name: 7-fluoro-1H-quinazolin-4-one SMILES: C1=CC2=C(C=C1F)NC=NC2=O
| PubChem CID | 7018323 |
|---|---|
| CAS | 16499-57-3 |
| Molecular Weight (g/mol) | 164.139 |
| MDL Number | MFCD05664874 |
| SMILES | C1=CC2=C(C=C1F)NC=NC2=O |
| Synonym | 7-Fluoro-4-quinazolinone, 7-Fluoro-4-quinazolinol |
| IUPAC Name | 7-fluoro-1H-quinazolin-4-one |
| InChI Key | KCORZHJVTZIZFD-UHFFFAOYSA-N |
| Molecular Formula | C8H5FN2O |
3-Hydroxybenzohydrazide 98.0+%, TCI America™
CAS: 5818-06-4 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00014759 InChI Key: OACGSLLKFCMXSX-UHFFFAOYSA-N Synonym: 3-hydroxybenzhydrazide,3-hydroxybenzoic hydrazide,m-hydroxybenzohydrazide,m-hydroxybenzhydrazide,3-hydroxybenzoylhydrazine,benzoylhydrazine, m-hydroxy,3-???phenol,3-hydroxy benzhydrazide,3-hydroxy benzohydrazide,3-hydroxy-benzohydrazide PubChem CID: 79889 IUPAC Name: 3-hydroxybenzohydrazide SMILES: C1=CC(=CC(=C1)O)C(=O)NN
| PubChem CID | 79889 |
|---|---|
| CAS | 5818-06-4 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00014759 |
| SMILES | C1=CC(=CC(=C1)O)C(=O)NN |
| Synonym | 3-hydroxybenzhydrazide,3-hydroxybenzoic hydrazide,m-hydroxybenzohydrazide,m-hydroxybenzhydrazide,3-hydroxybenzoylhydrazine,benzoylhydrazine, m-hydroxy,3-???phenol,3-hydroxy benzhydrazide,3-hydroxy benzohydrazide,3-hydroxy-benzohydrazide |
| IUPAC Name | 3-hydroxybenzohydrazide |
| InChI Key | OACGSLLKFCMXSX-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
3-Carboxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 25487-66-5 Molecular Formula: C7H7BO4 Molecular Weight (g/mol): 165.94 MDL Number: MFCD00036833 InChI Key: DBVFWZMQJQMJCB-UHFFFAOYSA-N PubChem CID: 2733957 IUPAC Name: 3-(dihydroxyboranyl)benzoic acid SMILES: OB(O)C1=CC=CC(=C1)C(O)=O
| PubChem CID | 2733957 |
|---|---|
| CAS | 25487-66-5 |
| Molecular Weight (g/mol) | 165.94 |
| MDL Number | MFCD00036833 |
| SMILES | OB(O)C1=CC=CC(=C1)C(O)=O |
| IUPAC Name | 3-(dihydroxyboranyl)benzoic acid |
| InChI Key | DBVFWZMQJQMJCB-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO4 |
Methyl 2-Methoxyphenylacetate 98.0+%, TCI America™
CAS: 27798-60-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD02093479 InChI Key: BNQRSYFOIRGRKV-UHFFFAOYSA-N Synonym: 2-Methoxyphenylacetic Acid Methyl Ester PubChem CID: 99590 IUPAC Name: methyl 2-(2-methoxyphenyl)acetate SMILES: COC(=O)CC1=CC=CC=C1OC
| PubChem CID | 99590 |
|---|---|
| CAS | 27798-60-3 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD02093479 |
| SMILES | COC(=O)CC1=CC=CC=C1OC |
| Synonym | 2-Methoxyphenylacetic Acid Methyl Ester |
| IUPAC Name | methyl 2-(2-methoxyphenyl)acetate |
| InChI Key | BNQRSYFOIRGRKV-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Dibutyl L-(+)-Tartrate 98.0+%, TCI America™
CAS: 87-92-3 Molecular Formula: C12H22O6 Molecular Weight (g/mol): 262.302 MDL Number: MFCD00009443 InChI Key: PCYQQSKDZQTOQG-NXEZZACHSA-N Synonym: 2r,3r-dibutyl 2,3-dihydroxysuccinate,dibutyl l-+-tartrate,dibutyl l-tartrate,unii-2d1v32if1e,dibutyl tartrate, +,l-+-tartaric acid di-n-butyl ester,dibutyl 2r,3r-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-2r,3r-, dibutyl ester,1,4-dibutyl 2r,3r-2,3-dihydroxybutanedioate,dibutyll-+-tartrate PubChem CID: 6910 IUPAC Name: dibutyl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CCCCOC(=O)C(C(C(=O)OCCCC)O)O
| PubChem CID | 6910 |
|---|---|
| CAS | 87-92-3 |
| Molecular Weight (g/mol) | 262.302 |
| MDL Number | MFCD00009443 |
| SMILES | CCCCOC(=O)C(C(C(=O)OCCCC)O)O |
| Synonym | 2r,3r-dibutyl 2,3-dihydroxysuccinate,dibutyl l-+-tartrate,dibutyl l-tartrate,unii-2d1v32if1e,dibutyl tartrate, +,l-+-tartaric acid di-n-butyl ester,dibutyl 2r,3r-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-2r,3r-, dibutyl ester,1,4-dibutyl 2r,3r-2,3-dihydroxybutanedioate,dibutyll-+-tartrate |
| IUPAC Name | dibutyl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | PCYQQSKDZQTOQG-NXEZZACHSA-N |
| Molecular Formula | C12H22O6 |
5-Chlorooxindole 97.0+%, TCI America™
CAS: 17630-75-0 Molecular Formula: C8H6ClNO Molecular Weight (g/mol): 167.59 MDL Number: MFCD00191927 InChI Key: WWJLCYHYLZZXBE-UHFFFAOYSA-N Synonym: 5-chlorooxindole,5-chloroindolin-2-one,5-chloro-1,3-dihydro-2h-indol-2-one,5-chloro-2-indolinone,5-chloro-1,3-dihydro-indol-2-one,5-chloro-2-oxindole,2h-indol-2-one, 5-chloro-1,3-dihydro,5-chloro-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-chloro,5-chlorooxindol PubChem CID: 152801 IUPAC Name: 5-chloro-2,3-dihydro-1H-indol-2-one SMILES: ClC1=CC=C2NC(=O)CC2=C1
| PubChem CID | 152801 |
|---|---|
| CAS | 17630-75-0 |
| Molecular Weight (g/mol) | 167.59 |
| MDL Number | MFCD00191927 |
| SMILES | ClC1=CC=C2NC(=O)CC2=C1 |
| Synonym | 5-chlorooxindole,5-chloroindolin-2-one,5-chloro-1,3-dihydro-2h-indol-2-one,5-chloro-2-indolinone,5-chloro-1,3-dihydro-indol-2-one,5-chloro-2-oxindole,2h-indol-2-one, 5-chloro-1,3-dihydro,5-chloro-2,3-dihydro-1h-indol-2-one,2-indolinone, 5-chloro,5-chlorooxindol |
| IUPAC Name | 5-chloro-2,3-dihydro-1H-indol-2-one |
| InChI Key | WWJLCYHYLZZXBE-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO |
Trimethyl 1,2,4-Cyclohexanetricarboxylate (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 185855-30-5 Molecular Formula: C12H18O6 Molecular Weight (g/mol): 258.27 InChI Key: DEIJHCATUHBNIH-UHFFFAOYSA-N Synonym: 1,2,4-Cyclohexanetricarboxylic Acid Trimethyl Ester PubChem CID: 12616206 IUPAC Name: trimethyl cyclohexane-1,2,4-tricarboxylate SMILES: COC(=O)C1CCC(C(C1)C(=O)OC)C(=O)OC
| PubChem CID | 12616206 |
|---|---|
| CAS | 185855-30-5 |
| Molecular Weight (g/mol) | 258.27 |
| SMILES | COC(=O)C1CCC(C(C1)C(=O)OC)C(=O)OC |
| Synonym | 1,2,4-Cyclohexanetricarboxylic Acid Trimethyl Ester |
| IUPAC Name | trimethyl cyclohexane-1,2,4-tricarboxylate |
| InChI Key | DEIJHCATUHBNIH-UHFFFAOYSA-N |
| Molecular Formula | C12H18O6 |
2-(Trifluoromethyl)pyridine-5-boronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 868662-36-6 Molecular Formula: C6H5BF3NO2 Molecular Weight (g/mol): 190.916 MDL Number: MFCD07375381 InChI Key: BNTIPMNMTIAWIW-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyridine-5-boronic acid,6-trifluoromethyl pyridin-3-yl boronic acid,2-trifluoromethyl-5-pyridineboric acid,2-trifluoromethyl pyridin-5-ylboronic acid,6-trifluoromethyl pyridine-3-boronic acid,6-trifluoromethyl pyridin-3-ylboronic acid,2-trifluoromethylpyridine-5-boronic acid,2-trifluoromethyl-5-pyridineboronic acid,6-trifluoromethyl-3-pyridylboronic acid PubChem CID: 25134278 IUPAC Name: [6-(trifluoromethyl)pyridin-3-yl]boronic acid SMILES: B(C1=CN=C(C=C1)C(F)(F)F)(O)O
| PubChem CID | 25134278 |
|---|---|
| CAS | 868662-36-6 |
| Molecular Weight (g/mol) | 190.916 |
| MDL Number | MFCD07375381 |
| SMILES | B(C1=CN=C(C=C1)C(F)(F)F)(O)O |
| Synonym | 2-trifluoromethyl pyridine-5-boronic acid,6-trifluoromethyl pyridin-3-yl boronic acid,2-trifluoromethyl-5-pyridineboric acid,2-trifluoromethyl pyridin-5-ylboronic acid,6-trifluoromethyl pyridine-3-boronic acid,6-trifluoromethyl pyridin-3-ylboronic acid,2-trifluoromethylpyridine-5-boronic acid,2-trifluoromethyl-5-pyridineboronic acid,6-trifluoromethyl-3-pyridylboronic acid |
| IUPAC Name | [6-(trifluoromethyl)pyridin-3-yl]boronic acid |
| InChI Key | BNTIPMNMTIAWIW-UHFFFAOYSA-N |
| Molecular Formula | C6H5BF3NO2 |
Acetazolamide 98.0+%, TCI America™
CAS: 59-66-5 Molecular Formula: C4H6N4O3S2 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00003105 InChI Key: BZKPWHYZMXOIDC-UHFFFAOYSA-N Synonym: acetazolamide,diamox,acetazolamid,diacarb,glaupax,defiltran,nephramide,acetamox,cidamex,diluran PubChem CID: 1986 ChEBI: CHEBI:27690 IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide SMILES: CC(=O)NC1=NN=C(S1)S(N)(=O)=O
| PubChem CID | 1986 |
|---|---|
| CAS | 59-66-5 |
| Molecular Weight (g/mol) | 222.24 |
| ChEBI | CHEBI:27690 |
| MDL Number | MFCD00003105 |
| SMILES | CC(=O)NC1=NN=C(S1)S(N)(=O)=O |
| Synonym | acetazolamide,diamox,acetazolamid,diacarb,glaupax,defiltran,nephramide,acetamox,cidamex,diluran |
| IUPAC Name | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide |
| InChI Key | BZKPWHYZMXOIDC-UHFFFAOYSA-N |
| Molecular Formula | C4H6N4O3S2 |
Stigmasterol 90.0+%, TCI America™
CAS: 83-48-7 Molecular Formula: C29H48O Molecular Weight (g/mol): 412.70 MDL Number: MFCD00003630 InChI Key: HCXVJBMSMIARIN-PHZDYDNGSA-N Synonym: stigmasterol,stigmasterin,beta-stigmasterol,stigmasta-5,22-dien-3beta-ol,24s-5,22-stigmastadien-3beta-ol,unii-99wuk5d0y8,stigmasta-5,22e-dien-3beta-ol,stigmasta-5,22-dien-3-beta-ol,3beta,22e-stigmasta-5,22-dien-3-ol,stigmasta-5,22-dien-3-ol, 3b,22e PubChem CID: 5280794 ChEBI: CHEBI:28824 IUPAC Name: (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol SMILES: CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
| PubChem CID | 5280794 |
|---|---|
| CAS | 83-48-7 |
| Molecular Weight (g/mol) | 412.70 |
| ChEBI | CHEBI:28824 |
| MDL Number | MFCD00003630 |
| SMILES | CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |
| Synonym | stigmasterol,stigmasterin,beta-stigmasterol,stigmasta-5,22-dien-3beta-ol,24s-5,22-stigmastadien-3beta-ol,unii-99wuk5d0y8,stigmasta-5,22e-dien-3beta-ol,stigmasta-5,22-dien-3-beta-ol,3beta,22e-stigmasta-5,22-dien-3-ol,stigmasta-5,22-dien-3-ol, 3b,22e |
| IUPAC Name | (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol |
| InChI Key | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| Molecular Formula | C29H48O |