Organic acids and derivatives
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Cefcapene Pivoxil Hydrochloride Monohydrate 98.0+%, TCI America™
CAS: 147816-24-8 Molecular Formula: C23H30ClN5O8S2 Molecular Weight (g/mol): 604.09 MDL Number: MFCD01682041 InChI Key: ALPFRUJYOAKQQR-CQZSJNSUSA-N PubChem CID: 6918126 IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride SMILES: CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.Cl
| PubChem CID | 6918126 |
|---|---|
| CAS | 147816-24-8 |
| Molecular Weight (g/mol) | 604.09 |
| MDL Number | MFCD01682041 |
| SMILES | CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.Cl |
| IUPAC Name | 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride |
| InChI Key | ALPFRUJYOAKQQR-CQZSJNSUSA-N |
| Molecular Formula | C23H30ClN5O8S2 |
Ethyl (R)-(-)-3-Hydroxybutyrate 98.0+%, TCI America™
CAS: 24915-95-5 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00075386 InChI Key: OMSUIQOIVADKIM-RXMQYKEDSA-N Synonym: ethyl r-3-hydroxybutyrate,ethyl 3r-3-hydroxybutanoate,ethyl r-3-hydroxybutanoate,ethyl r---3-hydroxybutyrate,r-ethyl 3-hydroxybutanoate,r---3-hydroxybutyric acid ethyl ester,r-3-hydroxybutyric acid ethyl ester,butanoic acid, 3-hydroxy-, ethyl ester, 3r,r---3-hydroxy-n-butyric acid ethyl ester PubChem CID: 440030 ChEBI: CHEBI:28707 IUPAC Name: ethyl (3R)-3-hydroxybutanoate SMILES: CCOC(=O)CC(C)O
| PubChem CID | 440030 |
|---|---|
| CAS | 24915-95-5 |
| Molecular Weight (g/mol) | 132.159 |
| ChEBI | CHEBI:28707 |
| MDL Number | MFCD00075386 |
| SMILES | CCOC(=O)CC(C)O |
| Synonym | ethyl r-3-hydroxybutyrate,ethyl 3r-3-hydroxybutanoate,ethyl r-3-hydroxybutanoate,ethyl r---3-hydroxybutyrate,r-ethyl 3-hydroxybutanoate,r---3-hydroxybutyric acid ethyl ester,r-3-hydroxybutyric acid ethyl ester,butanoic acid, 3-hydroxy-, ethyl ester, 3r,r---3-hydroxy-n-butyric acid ethyl ester |
| IUPAC Name | ethyl (3R)-3-hydroxybutanoate |
| InChI Key | OMSUIQOIVADKIM-RXMQYKEDSA-N |
| Molecular Formula | C6H12O3 |
Dibutyl DL-Malate 95.0+%, TCI America™
CAS: 6280-99-5 Molecular Formula: C12H22O5 Molecular Weight (g/mol): 246.303 MDL Number: MFCD00059251 InChI Key: PDSCSYLDRHAHOX-UHFFFAOYSA-N Synonym: DL-Apple Acid Dibutyl Ester, DL-Malic Acid Dibutyl Ester PubChem CID: 95385 IUPAC Name: dibutyl 2-hydroxybutanedioate SMILES: CCCCOC(=O)CC(C(=O)OCCCC)O
| PubChem CID | 95385 |
|---|---|
| CAS | 6280-99-5 |
| Molecular Weight (g/mol) | 246.303 |
| MDL Number | MFCD00059251 |
| SMILES | CCCCOC(=O)CC(C(=O)OCCCC)O |
| Synonym | DL-Apple Acid Dibutyl Ester, DL-Malic Acid Dibutyl Ester |
| IUPAC Name | dibutyl 2-hydroxybutanedioate |
| InChI Key | PDSCSYLDRHAHOX-UHFFFAOYSA-N |
| Molecular Formula | C12H22O5 |
Ethyl 4-Nitrocinnamate 98.0+%, TCI America™
CAS: 953-26-4 Molecular Formula: C11H11NO4 Molecular Weight (g/mol): 221.212 MDL Number: MFCD00007380 InChI Key: PFBQVGXIMLXCQB-VMPITWQZSA-N Synonym: ethyl 4-nitrocinnamate,ethyl p-nitrocinnamate,ethyl 3-4-nitrophenyl acrylate,2-propenoic acid, 3-4-nitrophenyl-, ethyl ester,cinnamic acid, p-nitro-, ethyl ester,ethyl-4-nitrocinnamate,e-ethyl 3-4-nitrophenyl acrylate,propenoic acid, 3-4-nitrophenyl-, ethyl ester,4-nitrozimtsaeure-ethylester,ethyl 2e-3-4-nitrophenyl prop-2-enoate PubChem CID: 1268038 IUPAC Name: ethyl (E)-3-(4-nitrophenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 1268038 |
|---|---|
| CAS | 953-26-4 |
| Molecular Weight (g/mol) | 221.212 |
| MDL Number | MFCD00007380 |
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | ethyl 4-nitrocinnamate,ethyl p-nitrocinnamate,ethyl 3-4-nitrophenyl acrylate,2-propenoic acid, 3-4-nitrophenyl-, ethyl ester,cinnamic acid, p-nitro-, ethyl ester,ethyl-4-nitrocinnamate,e-ethyl 3-4-nitrophenyl acrylate,propenoic acid, 3-4-nitrophenyl-, ethyl ester,4-nitrozimtsaeure-ethylester,ethyl 2e-3-4-nitrophenyl prop-2-enoate |
| IUPAC Name | ethyl (E)-3-(4-nitrophenyl)prop-2-enoate |
| InChI Key | PFBQVGXIMLXCQB-VMPITWQZSA-N |
| Molecular Formula | C11H11NO4 |
Ethyl 4-Cyanocinnamate 98.0+%, TCI America™
CAS: 62174-99-6 Molecular Formula: C12H11NO2 Molecular Weight (g/mol): 201.225 InChI Key: NVLBOCIUMFYPGI-BQYQJAHWSA-N Synonym: 4-Cyanocinnamic Acid Ethyl Ester PubChem CID: 5373497 IUPAC Name: ethyl (E)-3-(4-cyanophenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC=C(C=C1)C#N
| PubChem CID | 5373497 |
|---|---|
| CAS | 62174-99-6 |
| Molecular Weight (g/mol) | 201.225 |
| SMILES | CCOC(=O)C=CC1=CC=C(C=C1)C#N |
| Synonym | 4-Cyanocinnamic Acid Ethyl Ester |
| IUPAC Name | ethyl (E)-3-(4-cyanophenyl)prop-2-enoate |
| InChI Key | NVLBOCIUMFYPGI-BQYQJAHWSA-N |
| Molecular Formula | C12H11NO2 |
Dimethyl D-(+)-Malate 98.0+%, TCI America™
CAS: 70681-41-3 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00066216 InChI Key: YSEKNCXYRGKTBJ-UHFFFAOYNA-N Synonym: D-(+)-Apple Acid Dimethyl Ester, D-(+)-Malic Acid Dimethyl Ester PubChem CID: 11062697 IUPAC Name: 1,4-dimethyl 2-hydroxybutanedioate SMILES: COC(=O)CC(O)C(=O)OC
| PubChem CID | 11062697 |
|---|---|
| CAS | 70681-41-3 |
| Molecular Weight (g/mol) | 162.14 |
| MDL Number | MFCD00066216 |
| SMILES | COC(=O)CC(O)C(=O)OC |
| Synonym | D-(+)-Apple Acid Dimethyl Ester, D-(+)-Malic Acid Dimethyl Ester |
| IUPAC Name | 1,4-dimethyl 2-hydroxybutanedioate |
| InChI Key | YSEKNCXYRGKTBJ-UHFFFAOYNA-N |
| Molecular Formula | C6H10O5 |
Piperazine DL-Malate 98.0+%, TCI America™
CAS: 14852-14-3 Molecular Formula: C8H16N2O5 Molecular Weight (g/mol): 220.225 MDL Number: MFCD00060185 InChI Key: MGQUENZFJVXCFB-UHFFFAOYSA-N PubChem CID: 20510719 IUPAC Name: 2-hydroxybutanedioic acid;piperazine SMILES: C1CNCCN1.C(C(C(=O)O)O)C(=O)O
| PubChem CID | 20510719 |
|---|---|
| CAS | 14852-14-3 |
| Molecular Weight (g/mol) | 220.225 |
| MDL Number | MFCD00060185 |
| SMILES | C1CNCCN1.C(C(C(=O)O)O)C(=O)O |
| IUPAC Name | 2-hydroxybutanedioic acid;piperazine |
| InChI Key | MGQUENZFJVXCFB-UHFFFAOYSA-N |
| Molecular Formula | C8H16N2O5 |
4-Biphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 5122-94-1 Molecular Formula: C12H11BO2 Molecular Weight (g/mol): 198.03 MDL Number: MFCD00093311 InChI Key: XPEIJWZLPWNNOK-UHFFFAOYSA-N PubChem CID: 151253 IUPAC Name: {[1,1'-biphenyl]-4-yl}boronic acid SMILES: OB(O)C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 151253 |
|---|---|
| CAS | 5122-94-1 |
| Molecular Weight (g/mol) | 198.03 |
| MDL Number | MFCD00093311 |
| SMILES | OB(O)C1=CC=C(C=C1)C1=CC=CC=C1 |
| IUPAC Name | {[1,1'-biphenyl]-4-yl}boronic acid |
| InChI Key | XPEIJWZLPWNNOK-UHFFFAOYSA-N |
| Molecular Formula | C12H11BO2 |
4-Hexylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 105365-50-2 Molecular Formula: C12H19BO2 MDL Number: MFCD04039029 InChI Key: CFYBKGAFWFRFRJ-UHFFFAOYSA-N PubChem CID: 4197864 IUPAC Name: (4-hexylphenyl)boronic acid
| PubChem CID | 4197864 |
|---|---|
| CAS | 105365-50-2 |
| MDL Number | MFCD04039029 |
| IUPAC Name | (4-hexylphenyl)boronic acid |
| InChI Key | CFYBKGAFWFRFRJ-UHFFFAOYSA-N |
| Molecular Formula | C12H19BO2 |
3-Fluoro-4-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 149507-26-6 Molecular Formula: C7H8BFO3 Molecular Weight (g/mol): 169.946 MDL Number: MFCD00807404 InChI Key: IILGLPAJXQMKGQ-UHFFFAOYSA-N PubChem CID: 2782194 IUPAC Name: (3-fluoro-4-methoxyphenyl)boronic acid SMILES: B(C1=CC(=C(C=C1)OC)F)(O)O
| PubChem CID | 2782194 |
|---|---|
| CAS | 149507-26-6 |
| Molecular Weight (g/mol) | 169.946 |
| MDL Number | MFCD00807404 |
| SMILES | B(C1=CC(=C(C=C1)OC)F)(O)O |
| IUPAC Name | (3-fluoro-4-methoxyphenyl)boronic acid |
| InChI Key | IILGLPAJXQMKGQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO3 |
5-Fluoro-2-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 179897-94-0 Molecular Formula: C7H8BFO3 MDL Number: MFCD01863526 InChI Key: CCQKIRUMTHHPSX-UHFFFAOYSA-N PubChem CID: 2782673 IUPAC Name: (5-fluoro-2-methoxyphenyl)boronic acid
| PubChem CID | 2782673 |
|---|---|
| CAS | 179897-94-0 |
| MDL Number | MFCD01863526 |
| IUPAC Name | (5-fluoro-2-methoxyphenyl)boronic acid |
| InChI Key | CCQKIRUMTHHPSX-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO3 |
3-Aminophenylboronic Acid Monohydrate (contains varying amounts of Anhydride), TCI America™
CAS: 206658-89-1 Molecular Formula: C6H10BNO3 Molecular Weight (g/mol): 154.96 InChI Key: XAEOVQODHLLNKX-UHFFFAOYSA-N Synonym: 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate PubChem CID: 14389423
| PubChem CID | 14389423 |
|---|---|
| CAS | 206658-89-1 |
| Molecular Weight (g/mol) | 154.96 |
| Synonym | 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate |
| InChI Key | XAEOVQODHLLNKX-UHFFFAOYSA-N |
| Molecular Formula | C6H10BNO3 |
2,3-Dihydrobenzofuran-5-boronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 227305-69-3 Molecular Formula: C8H9BO3 Molecular Weight (g/mol): 163.97 MDL Number: MFCD02681979 InChI Key: ZIXLJHSFAMVHPC-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzofuran-5-boronic acid,2,3-dihydrobenzofuran-5-ylboronic acid,2,3-dihydrobenzofuran-5-yl boronic acid,2,3-dihydrobenzo b furan-5-boronic acid,2,3-dihydrobenzofuran-5-yl-5-boronic acid,boronic acid, 2,3-dihydro-5-benzofuranyl,2,3-dihydro-1-benzofuran-5-yl-boranediol,2,3-dihydro-1-benzofuran-5-yl boronic acid,pubchem7848,zlchem 1108 PubChem CID: 2773380 IUPAC Name: (2,3-dihydro-1-benzofuran-5-yl)boronic acid SMILES: OB(O)C1=CC=C2OCCC2=C1
| PubChem CID | 2773380 |
|---|---|
| CAS | 227305-69-3 |
| Molecular Weight (g/mol) | 163.97 |
| MDL Number | MFCD02681979 |
| SMILES | OB(O)C1=CC=C2OCCC2=C1 |
| Synonym | 2,3-dihydrobenzofuran-5-boronic acid,2,3-dihydrobenzofuran-5-ylboronic acid,2,3-dihydrobenzofuran-5-yl boronic acid,2,3-dihydrobenzo b furan-5-boronic acid,2,3-dihydrobenzofuran-5-yl-5-boronic acid,boronic acid, 2,3-dihydro-5-benzofuranyl,2,3-dihydro-1-benzofuran-5-yl-boranediol,2,3-dihydro-1-benzofuran-5-yl boronic acid,pubchem7848,zlchem 1108 |
| IUPAC Name | (2,3-dihydro-1-benzofuran-5-yl)boronic acid |
| InChI Key | ZIXLJHSFAMVHPC-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |
4-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 139301-27-2 Molecular Formula: C7H6BF3O3 Molecular Weight (g/mol): 205.93 MDL Number: MFCD01074648 InChI Key: HUOFUOCSQCYFPW-UHFFFAOYSA-N PubChem CID: 2734386 IUPAC Name: [4-(trifluoromethoxy)phenyl]boronic acid SMILES: OB(O)C1=CC=C(OC(F)(F)F)C=C1
| PubChem CID | 2734386 |
|---|---|
| CAS | 139301-27-2 |
| Molecular Weight (g/mol) | 205.93 |
| MDL Number | MFCD01074648 |
| SMILES | OB(O)C1=CC=C(OC(F)(F)F)C=C1 |
| IUPAC Name | [4-(trifluoromethoxy)phenyl]boronic acid |
| InChI Key | HUOFUOCSQCYFPW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BF3O3 |
2,5-Dimethoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 107099-99-0 Molecular Formula: C8H11BO4 Molecular Weight (g/mol): 181.982 MDL Number: MFCD01318181 InChI Key: QOZLFNQLIKOGDR-UHFFFAOYSA-N Synonym: 2,5-dimethoxyphenyl boronic acid,2,5-dimethoxybenzeneboronic acid,2,5-dimethoxyphenylboronicacid,2,5-dimethoxyphenyl boranediol,boronic acid, 2,5-dimethoxyphenyl,pubchem1824,acmc-2098nk,ksc174i7n,2,5-dimethoxyphenylboronoic acid PubChem CID: 2734342 IUPAC Name: (2,5-dimethoxyphenyl)boronic acid SMILES: B(C1=C(C=CC(=C1)OC)OC)(O)O
| PubChem CID | 2734342 |
|---|---|
| CAS | 107099-99-0 |
| Molecular Weight (g/mol) | 181.982 |
| MDL Number | MFCD01318181 |
| SMILES | B(C1=C(C=CC(=C1)OC)OC)(O)O |
| Synonym | 2,5-dimethoxyphenyl boronic acid,2,5-dimethoxybenzeneboronic acid,2,5-dimethoxyphenylboronicacid,2,5-dimethoxyphenyl boranediol,boronic acid, 2,5-dimethoxyphenyl,pubchem1824,acmc-2098nk,ksc174i7n,2,5-dimethoxyphenylboronoic acid |
| IUPAC Name | (2,5-dimethoxyphenyl)boronic acid |
| InChI Key | QOZLFNQLIKOGDR-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO4 |