Carboxylic acids and derivatives
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Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate 98.0+%, TCI America™
CAS: 2199-44-2 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00010645 InChI Key: IZSBSZYFPYIJDI-UHFFFAOYSA-N Synonym: 3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester,ethyl 3,5-dimethylpyrrole-2-carboxylate,ethyl 3,5-dimethyl-2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-1h-pyrrole-2-carboxylic acidethyl ester,ethyl 3,5-dimethyl-1h-pyrrole-2-carboxylate,pubchem23984,acmc-1cdc7,3,5-dimethyl-1h-pyrrole-2-carboxylicacidethylester,ksc496q7t PubChem CID: 137477 IUPAC Name: ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=C(C=C(N1)C)C
| PubChem CID | 137477 |
|---|---|
| CAS | 2199-44-2 |
| Molecular Weight (g/mol) | 167.208 |
| MDL Number | MFCD00010645 |
| SMILES | CCOC(=O)C1=C(C=C(N1)C)C |
| Synonym | 3,5-dimethyl-1h-pyrrole-2-carboxylic acid ethyl ester,ethyl 3,5-dimethylpyrrole-2-carboxylate,ethyl 3,5-dimethyl-2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester,3,5-dimethyl-1h-pyrrole-2-carboxylic acidethyl ester,ethyl 3,5-dimethyl-1h-pyrrole-2-carboxylate,pubchem23984,acmc-1cdc7,3,5-dimethyl-1h-pyrrole-2-carboxylicacidethylester,ksc496q7t |
| IUPAC Name | ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate |
| InChI Key | IZSBSZYFPYIJDI-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |
Butyl n-Octanoate 99.0+%, TCI America™
CAS: 589-75-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00048918 InChI Key: PSXNDMJWRZYVTM-UHFFFAOYSA-N Synonym: butyl caprylate,butyl n-octanoate,n-butylcaprylate,octanoic acid, butyl ester,n-butyl octanoate,caprylic acid n-butyl ester,n-caprylic acid n-butyl ester,butyl-caprylate,n-butyl n-octanoate,octanoic acid butyl ester PubChem CID: 11517 ChEBI: CHEBI:87380 IUPAC Name: butyl octanoate SMILES: CCCCCCCC(=O)OCCCC
| PubChem CID | 11517 |
|---|---|
| CAS | 589-75-3 |
| Molecular Weight (g/mol) | 200.322 |
| ChEBI | CHEBI:87380 |
| MDL Number | MFCD00048918 |
| SMILES | CCCCCCCC(=O)OCCCC |
| Synonym | butyl caprylate,butyl n-octanoate,n-butylcaprylate,octanoic acid, butyl ester,n-butyl octanoate,caprylic acid n-butyl ester,n-caprylic acid n-butyl ester,butyl-caprylate,n-butyl n-octanoate,octanoic acid butyl ester |
| IUPAC Name | butyl octanoate |
| InChI Key | PSXNDMJWRZYVTM-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
N-Acetyl-2-(4-nitrophenyl)ethylamine 98.0+%, TCI America™
CAS: 6270-07-1 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00024805 InChI Key: DIRUSBMKFDPKDI-UHFFFAOYSA-N Synonym: N-Acetyl-4-nitrophenethylamine, N-[2-(4-Nitrophenyl)ethyl]acetamide PubChem CID: 80450 IUPAC Name: N-[2-(4-nitrophenyl)ethyl]acetamide SMILES: CC(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 80450 |
|---|---|
| CAS | 6270-07-1 |
| Molecular Weight (g/mol) | 208.22 |
| MDL Number | MFCD00024805 |
| SMILES | CC(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | N-Acetyl-4-nitrophenethylamine, N-[2-(4-Nitrophenyl)ethyl]acetamide |
| IUPAC Name | N-[2-(4-nitrophenyl)ethyl]acetamide |
| InChI Key | DIRUSBMKFDPKDI-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O3 |
Ethyl 2-Mercaptopropionate 97.0+%, TCI America™
CAS: 19788-49-9 Molecular Formula: C5H10O2S Molecular Weight (g/mol): 134.193 MDL Number: MFCD00040233 InChI Key: LXXNWCFBZHKFPT-UHFFFAOYSA-N Synonym: ethyl 2-mercaptopropionate,ethyl 2-mercaptopropanoate,ethyl thiolactate,propanoic acid, 2-mercapto-, ethyl ester,2-mercaptopropionic acid ethyl ester,propionic acid, 2-mercapto-, ethyl ester,ethyl alpha-mercaptopropionate,fema no. 3279,ethyl2-mercaptopropionate,ethyl mercaptopropionate PubChem CID: 519709 IUPAC Name: ethyl 2-sulfanylpropanoate SMILES: CCOC(=O)C(C)S
| PubChem CID | 519709 |
|---|---|
| CAS | 19788-49-9 |
| Molecular Weight (g/mol) | 134.193 |
| MDL Number | MFCD00040233 |
| SMILES | CCOC(=O)C(C)S |
| Synonym | ethyl 2-mercaptopropionate,ethyl 2-mercaptopropanoate,ethyl thiolactate,propanoic acid, 2-mercapto-, ethyl ester,2-mercaptopropionic acid ethyl ester,propionic acid, 2-mercapto-, ethyl ester,ethyl alpha-mercaptopropionate,fema no. 3279,ethyl2-mercaptopropionate,ethyl mercaptopropionate |
| IUPAC Name | ethyl 2-sulfanylpropanoate |
| InChI Key | LXXNWCFBZHKFPT-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2S |
Diethyl Itaconate (stabilized with TBC) 98.0+%, TCI America™
CAS: 2409-52-1 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.207 MDL Number: MFCD00059230 InChI Key: ZEFVHSWKYCYFFL-UHFFFAOYSA-N Synonym: Itaconic Acid Diethyl Ester PubChem CID: 75481 IUPAC Name: diethyl 2-methylidenebutanedioate SMILES: CCOC(=O)CC(=C)C(=O)OCC
| PubChem CID | 75481 |
|---|---|
| CAS | 2409-52-1 |
| Molecular Weight (g/mol) | 186.207 |
| MDL Number | MFCD00059230 |
| SMILES | CCOC(=O)CC(=C)C(=O)OCC |
| Synonym | Itaconic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-methylidenebutanedioate |
| InChI Key | ZEFVHSWKYCYFFL-UHFFFAOYSA-N |
| Molecular Formula | C9H14O4 |
5-(Benzoylamino)valeric Acid 98.0+%, TCI America™
CAS: 15647-47-9 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.256 MDL Number: MFCD00021790 InChI Key: LAPZULVOGQPDBE-UHFFFAOYSA-N PubChem CID: 225176 IUPAC Name: 5-benzamidopentanoic acid SMILES: C1=CC=C(C=C1)C(=O)NCCCCC(=O)O
| PubChem CID | 225176 |
|---|---|
| CAS | 15647-47-9 |
| Molecular Weight (g/mol) | 221.256 |
| MDL Number | MFCD00021790 |
| SMILES | C1=CC=C(C=C1)C(=O)NCCCCC(=O)O |
| IUPAC Name | 5-benzamidopentanoic acid |
| InChI Key | LAPZULVOGQPDBE-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO3 |
Divinyl Adipate (stabilized with MEHQ) 99.0+%, TCI America™
CAS: 4074-90-2 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00059202 InChI Key: JZQAAQZDDMEFGZ-UHFFFAOYSA-N Synonym: Adipic Acid Divinyl Ester PubChem CID: 19997 IUPAC Name: 1,6-diethenyl hexanedioate SMILES: C=COC(=O)CCCCC(=O)OC=C
| PubChem CID | 19997 |
|---|---|
| CAS | 4074-90-2 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00059202 |
| SMILES | C=COC(=O)CCCCC(=O)OC=C |
| Synonym | Adipic Acid Divinyl Ester |
| IUPAC Name | 1,6-diethenyl hexanedioate |
| InChI Key | JZQAAQZDDMEFGZ-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
N-(3-Bromopropyl)phthalimide 98.0+%, TCI America™
CAS: 5460-29-7 Molecular Formula: C11H10BrNO2 Molecular Weight (g/mol): 268.11 MDL Number: MFCD00005904 InChI Key: VKJCJJYNVIYVQR-UHFFFAOYSA-N Synonym: n-3-bromopropyl phthalimide,2-3-bromopropyl isoindoline-1,3-dione,1-phthalimido-3-bromopropane,3-bromopropylphthalimide,n-3-bromopropylphthalimide,gamma-bromopropylphthalimide,2-3-bromopropyl-1h-isoindole-1,3 2h-dione,2-3-bromopropyl-2,3-dihydro-1h-isoindole-1,3-dione,phthalimide, n-3-bromopropyl,1h-isoindole-1,3 2h-dione, 2-3-bromopropyl PubChem CID: 21611 IUPAC Name: 2-(3-bromopropyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr
| PubChem CID | 21611 |
|---|---|
| CAS | 5460-29-7 |
| Molecular Weight (g/mol) | 268.11 |
| MDL Number | MFCD00005904 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr |
| Synonym | n-3-bromopropyl phthalimide,2-3-bromopropyl isoindoline-1,3-dione,1-phthalimido-3-bromopropane,3-bromopropylphthalimide,n-3-bromopropylphthalimide,gamma-bromopropylphthalimide,2-3-bromopropyl-1h-isoindole-1,3 2h-dione,2-3-bromopropyl-2,3-dihydro-1h-isoindole-1,3-dione,phthalimide, n-3-bromopropyl,1h-isoindole-1,3 2h-dione, 2-3-bromopropyl |
| IUPAC Name | 2-(3-bromopropyl)isoindole-1,3-dione |
| InChI Key | VKJCJJYNVIYVQR-UHFFFAOYSA-N |
| Molecular Formula | C11H10BrNO2 |
Sodium Oxalate, ACS Reagent Grade, Ricca Chemical
CAS: 62-76-0 Molecular Formula: C2Na2O4 Molecular Weight (g/mol): 134.00 MDL Number: MFCD00012465 InChI Key: ZNCPFRVNHGOPAG-UHFFFAOYSA-L Synonym: sodium oxalate,disodium oxalate,natriumoxalat,ethanedioic acid, disodium salt,oxalic acid, disodium salt,natriumoxalat german,stavelan sodny czech,oxalic acid disodium salt,unii-7u0v68lt9x,ethanedioic acid disodium salt PubChem CID: 6125 IUPAC Name: disodium oxalate SMILES: [Na+].[Na+].[O-]C(=O)C([O-])=O
| PubChem CID | 6125 |
|---|---|
| CAS | 62-76-0 |
| Molecular Weight (g/mol) | 134.00 |
| MDL Number | MFCD00012465 |
| SMILES | [Na+].[Na+].[O-]C(=O)C([O-])=O |
| Synonym | sodium oxalate,disodium oxalate,natriumoxalat,ethanedioic acid, disodium salt,oxalic acid, disodium salt,natriumoxalat german,stavelan sodny czech,oxalic acid disodium salt,unii-7u0v68lt9x,ethanedioic acid disodium salt |
| IUPAC Name | disodium oxalate |
| InChI Key | ZNCPFRVNHGOPAG-UHFFFAOYSA-L |
| Molecular Formula | C2Na2O4 |
N-(1-Isopropoxyethyl)acetamide 93.0+%, TCI America™
CAS: 115910-75-3 Molecular Formula: C7H15NO2 Molecular Weight (g/mol): 145.202 MDL Number: MFCD00191526 InChI Key: PUMLTXLDRDSMGQ-UHFFFAOYSA-N PubChem CID: 14204909 IUPAC Name: N-(1-propan-2-yloxyethyl)acetamide SMILES: CC(C)OC(C)NC(=O)C
| PubChem CID | 14204909 |
|---|---|
| CAS | 115910-75-3 |
| Molecular Weight (g/mol) | 145.202 |
| MDL Number | MFCD00191526 |
| SMILES | CC(C)OC(C)NC(=O)C |
| IUPAC Name | N-(1-propan-2-yloxyethyl)acetamide |
| InChI Key | PUMLTXLDRDSMGQ-UHFFFAOYSA-N |
| Molecular Formula | C7H15NO2 |
N,N-Diethylchloroacetamide 98.0+%, TCI America™
CAS: 2315-36-8 Molecular Formula: C6H12ClNO Molecular Weight (g/mol): 149.618 MDL Number: MFCD00000928 InChI Key: CQQUWTMMFMJEFE-UHFFFAOYSA-N Synonym: n,n-diethylchloroacetamide,cdea,acetamide, 2-chloro-n,n-diethyl,n,n-diethyl-2-chloroacetamide,n-chloroacetyldiethylamine,caswell no. 333g,diethylamid kyseliny chloroctove,alpha-chloro-n,n-diethylacetamide,.alpha.-chloro-n,n-diethylacetamide,n,n,-diethylchloroacetamide PubChem CID: 16844 IUPAC Name: 2-chloro-N,N-diethylacetamide SMILES: CCN(CC)C(=O)CCl
| PubChem CID | 16844 |
|---|---|
| CAS | 2315-36-8 |
| Molecular Weight (g/mol) | 149.618 |
| MDL Number | MFCD00000928 |
| SMILES | CCN(CC)C(=O)CCl |
| Synonym | n,n-diethylchloroacetamide,cdea,acetamide, 2-chloro-n,n-diethyl,n,n-diethyl-2-chloroacetamide,n-chloroacetyldiethylamine,caswell no. 333g,diethylamid kyseliny chloroctove,alpha-chloro-n,n-diethylacetamide,.alpha.-chloro-n,n-diethylacetamide,n,n,-diethylchloroacetamide |
| IUPAC Name | 2-chloro-N,N-diethylacetamide |
| InChI Key | CQQUWTMMFMJEFE-UHFFFAOYSA-N |
| Molecular Formula | C6H12ClNO |
trans-Aconitic Acid 98.0+%, TCI America™
CAS: 4023-65-8 Molecular Formula: C6H6O6 Molecular Weight (g/mol): 174.108 MDL Number: MFCD00002721 InChI Key: GTZCVFVGUGFEME-HNQUOIGGSA-N Synonym: trans-aconitic acid,trans-aconitate,e-1-propene-1,2,3-tricarboxylic acid,aconitic acid,e-prop-1-ene-1,2,3-tricarboxylic acid,aconitic acid, trans,trans aconitic acid,e-aconitic acid,unii-7db37960cw,1e-1-propene-1,2,3-tricarboxylic acid PubChem CID: 444212 ChEBI: CHEBI:32806 IUPAC Name: (E)-prop-1-ene-1,2,3-tricarboxylic acid SMILES: C(C(=CC(=O)O)C(=O)O)C(=O)O
| PubChem CID | 444212 |
|---|---|
| CAS | 4023-65-8 |
| Molecular Weight (g/mol) | 174.108 |
| ChEBI | CHEBI:32806 |
| MDL Number | MFCD00002721 |
| SMILES | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| Synonym | trans-aconitic acid,trans-aconitate,e-1-propene-1,2,3-tricarboxylic acid,aconitic acid,e-prop-1-ene-1,2,3-tricarboxylic acid,aconitic acid, trans,trans aconitic acid,e-aconitic acid,unii-7db37960cw,1e-1-propene-1,2,3-tricarboxylic acid |
| IUPAC Name | (E)-prop-1-ene-1,2,3-tricarboxylic acid |
| InChI Key | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Molecular Formula | C6H6O6 |
Methyl 2-Octynoate 98.0+%, TCI America™
CAS: 111-12-6 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00009530 InChI Key: FRLZQXRXIKQFNS-UHFFFAOYSA-N Synonym: methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3 PubChem CID: 8092 IUPAC Name: methyl oct-2-ynoate SMILES: CCCCCC#CC(=O)OC
| PubChem CID | 8092 |
|---|---|
| CAS | 111-12-6 |
| Molecular Weight (g/mol) | 154.209 |
| MDL Number | MFCD00009530 |
| SMILES | CCCCCC#CC(=O)OC |
| Synonym | methyl 2-octynoate,folione,methyl heptine carbonate,methyl 2-octynate,methyl 2-octinate,2-octynoic acid, methyl ester,vert de violette, artificial,methyl hept-1-yne-1-carboxylate,methyl pentylacetylenecarboxylate,unii-0ttp6yt2t3 |
| IUPAC Name | methyl oct-2-ynoate |
| InChI Key | FRLZQXRXIKQFNS-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
2-Propylvaleric Acid 99.0+%, TCI America™
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Ethyl 4-Methyl-2-pyrrolecarboxylate 97.0+%, TCI America™
CAS: 40611-85-6 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00191668 InChI Key: RWFKYBVNHRKZSN-UHFFFAOYSA-N Synonym: 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester PubChem CID: 643361 IUPAC Name: ethyl 4-methyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=CC(C)=CN1
| PubChem CID | 643361 |
|---|---|
| CAS | 40611-85-6 |
| Molecular Weight (g/mol) | 153.18 |
| MDL Number | MFCD00191668 |
| SMILES | CCOC(=O)C1=CC(C)=CN1 |
| Synonym | 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-methyl-1H-pyrrole-2-carboxylate |
| InChI Key | RWFKYBVNHRKZSN-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |