Organic acids and derivatives
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tert-Butyl cyanoacetate, 98%
CAS: 1116-98-9 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00001938 InChI Key: BFNYNEMRWHFIMR-UHFFFAOYSA-N Synonym: tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate PubChem CID: 70693 IUPAC Name: tert-butyl 2-cyanoacetate SMILES: CC(C)(C)OC(=O)CC#N
| PubChem CID | 70693 |
|---|---|
| CAS | 1116-98-9 |
| Molecular Weight (g/mol) | 141.17 |
| MDL Number | MFCD00001938 |
| SMILES | CC(C)(C)OC(=O)CC#N |
| Synonym | tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate |
| IUPAC Name | tert-butyl 2-cyanoacetate |
| InChI Key | BFNYNEMRWHFIMR-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
Pyrrole-2-carboxylic acid, 97%
CAS: 634-97-9 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005219 InChI Key: WRHZVMBBRYBTKZ-UHFFFAOYSA-N Synonym: pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc PubChem CID: 12473 ChEBI: CHEBI:36751 IUPAC Name: 1H-pyrrole-2-carboxylic acid SMILES: C1=CNC(=C1)C(=O)O
| PubChem CID | 12473 |
|---|---|
| CAS | 634-97-9 |
| Molecular Weight (g/mol) | 111.1 |
| ChEBI | CHEBI:36751 |
| MDL Number | MFCD00005219 |
| SMILES | C1=CNC(=C1)C(=O)O |
| Synonym | pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc |
| IUPAC Name | 1H-pyrrole-2-carboxylic acid |
| InChI Key | WRHZVMBBRYBTKZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
Phenylpropiolic acid, 97%
CAS: 637-44-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00004361 InChI Key: XNERWVPQCYSMLC-UHFFFAOYSA-N Synonym: phenylpropiolic acid,3-phenylpropiolic acid,phenylpropynoic acid,3-phenylpropynoic acid,2-propynoic acid, 3-phenyl,phenylacetylenecarboxylic acid,3-phenyl-2-propynoic acid,phenylacetylene monocarboxylic acid,propiolic acid, 3-phenyl,phenyl propiolic acid PubChem CID: 69475 IUPAC Name: 3-phenylprop-2-ynoic acid SMILES: OC(=O)C#CC1=CC=CC=C1
| PubChem CID | 69475 |
|---|---|
| CAS | 637-44-5 |
| Molecular Weight (g/mol) | 146.15 |
| MDL Number | MFCD00004361 |
| SMILES | OC(=O)C#CC1=CC=CC=C1 |
| Synonym | phenylpropiolic acid,3-phenylpropiolic acid,phenylpropynoic acid,3-phenylpropynoic acid,2-propynoic acid, 3-phenyl,phenylacetylenecarboxylic acid,3-phenyl-2-propynoic acid,phenylacetylene monocarboxylic acid,propiolic acid, 3-phenyl,phenyl propiolic acid |
| IUPAC Name | 3-phenylprop-2-ynoic acid |
| InChI Key | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
Isopropyl myristate, 96%
CAS: 110-27-0 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.45 MDL Number: MFCD00008982 InChI Key: AXISYYRBXTVTFY-UHFFFAOYSA-N Synonym: isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester PubChem CID: 8042 IUPAC Name: propan-2-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
| PubChem CID | 8042 |
|---|---|
| CAS | 110-27-0 |
| Molecular Weight (g/mol) | 270.45 |
| MDL Number | MFCD00008982 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(C)C |
| Synonym | isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester |
| IUPAC Name | propan-2-yl tetradecanoate |
| InChI Key | AXISYYRBXTVTFY-UHFFFAOYSA-N |
| Molecular Formula | C17H34O2 |
iso-Propyl Acetate, BAKER ANALYZED™ Reagent, J.T. Baker™
CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C
| PubChem CID | 7915 |
|---|---|
| CAS | 108-21-4 |
| Molecular Weight (g/mol) | 102.133 |
| SMILES | CC(C)OC(=O)C |
| Synonym | isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester |
| IUPAC Name | propan-2-yl acetate |
| InChI Key | JMMWKPVZQRWMSS-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Hydrazine acetate, 97%
CAS: 7335-65-1 Molecular Formula: C2H8N2O2 Molecular Weight (g/mol): 92.10 MDL Number: MFCD00013141 InChI Key: YFHNDHXQDJQEEE-UHFFFAOYSA-N Synonym: hydrazine acetate,hydrazinium acetate,hydrazine, monoacetate,hydrazine monoacetate,acetic acid; hydrazine,hydrazineacetate,hydrazine, acetate 1:1,acetic acid; diamine,hydrazine mono-acetate,acmc-209bph PubChem CID: 165591 IUPAC Name: acetic acid;hydrazine SMILES: NN.CC(O)=O
| PubChem CID | 165591 |
|---|---|
| CAS | 7335-65-1 |
| Molecular Weight (g/mol) | 92.10 |
| MDL Number | MFCD00013141 |
| SMILES | NN.CC(O)=O |
| Synonym | hydrazine acetate,hydrazinium acetate,hydrazine, monoacetate,hydrazine monoacetate,acetic acid; hydrazine,hydrazineacetate,hydrazine, acetate 1:1,acetic acid; diamine,hydrazine mono-acetate,acmc-209bph |
| IUPAC Name | acetic acid;hydrazine |
| InChI Key | YFHNDHXQDJQEEE-UHFFFAOYSA-N |
| Molecular Formula | C2H8N2O2 |
3-(4-Bromophenyl)propionic acid, 98%, Thermo Scientific Chemicals
CAS: 1643-30-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br
| PubChem CID | 2735609 |
|---|---|
| CAS | 1643-30-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD01310793 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)Br |
| Synonym | 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm |
| IUPAC Name | 3-(4-bromophenyl)propanoic acid |
| InChI Key | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
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 |
3-(tert-Butyl)-1-methyl-1H-pyrazole-carboxylic acid, 95%
CAS: 175277-11-9 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.22 InChI Key: SFSXXMXHJOSBAZ-UHFFFAOYSA-N Synonym: 3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid PubChem CID: 720529 IUPAC Name: 5-tert-butyl-2-methylpyrazole-3-carboxylic acid SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)O)C
| PubChem CID | 720529 |
|---|---|
| CAS | 175277-11-9 |
| Molecular Weight (g/mol) | 182.22 |
| SMILES | CC(C)(C)C1=NN(C(=C1)C(=O)O)C |
| Synonym | 3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid |
| IUPAC Name | 5-tert-butyl-2-methylpyrazole-3-carboxylic acid |
| InChI Key | SFSXXMXHJOSBAZ-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2O2 |
Ethyl thiophene-2-carboxylate, 98+%
CAS: 2810-04-0 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00005436 InChI Key: JZGZKRJVTIRPOK-UHFFFAOYSA-N PubChem CID: 76052 IUPAC Name: ethyl thiophene-2-carboxylate SMILES: CCOC(=O)C1=CC=CS1
| PubChem CID | 76052 |
|---|---|
| CAS | 2810-04-0 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00005436 |
| SMILES | CCOC(=O)C1=CC=CS1 |
| IUPAC Name | ethyl thiophene-2-carboxylate |
| InChI Key | JZGZKRJVTIRPOK-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
1-Adamantanecarboxylic acid, 99%
CAS: 828-51-3 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00074720 InChI Key: JIMXXGFJRDUSRO-UHFFFAOYSA-N Synonym: 1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid PubChem CID: 13235 IUPAC Name: adamantane-1-carboxylic acid SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)O
| PubChem CID | 13235 |
|---|---|
| CAS | 828-51-3 |
| Molecular Weight (g/mol) | 180.25 |
| MDL Number | MFCD00074720 |
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)O |
| Synonym | 1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid |
| IUPAC Name | adamantane-1-carboxylic acid |
| InChI Key | JIMXXGFJRDUSRO-UHFFFAOYSA-N |
| Molecular Formula | C11H16O2 |
n-Butyl dodecanoate, 99+%
CAS: 106-18-3 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00042870 InChI Key: NDKYEUQMPZIGFN-UHFFFAOYSA-N Synonym: butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate PubChem CID: 61015 IUPAC Name: butyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCCCC
| PubChem CID | 61015 |
|---|---|
| CAS | 106-18-3 |
| Molecular Weight (g/mol) | 256.43 |
| MDL Number | MFCD00042870 |
| SMILES | CCCCCCCCCCCC(=O)OCCCC |
| Synonym | butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate |
| IUPAC Name | butyl dodecanoate |
| InChI Key | NDKYEUQMPZIGFN-UHFFFAOYSA-N |
| Molecular Formula | C16H32O2 |
2-Cyclopentene-1-acetic acid, tech. 90%, remainder mainly 3-cyclopentene-1-acetic acid
CAS: 13668-61-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00001400 InChI Key: NNRZTJAACCRFRV-UHFFFAOYSA-N Synonym: 2-cyclopentene-1-acetic acid,2-cyclopent-2-en-1-yl acetic acid,cyclopent-2-enylacetic acid,2-cyclopenten-1-ylacetic acid,cyclopent-2-en-1-ylacetic acid,cyclopentene-3-acetic acid,2-cyclopentene-1-aceticacid,acmc-1c47k,2-cyclopent-2-enylacetic acid,cyclopent-2-ene-1-acetic acid PubChem CID: 96216 IUPAC Name: 2-cyclopent-2-en-1-ylacetic acid SMILES: C1CC(C=C1)CC(=O)O
| PubChem CID | 96216 |
|---|---|
| CAS | 13668-61-6 |
| Molecular Weight (g/mol) | 126.155 |
| MDL Number | MFCD00001400 |
| SMILES | C1CC(C=C1)CC(=O)O |
| Synonym | 2-cyclopentene-1-acetic acid,2-cyclopent-2-en-1-yl acetic acid,cyclopent-2-enylacetic acid,2-cyclopenten-1-ylacetic acid,cyclopent-2-en-1-ylacetic acid,cyclopentene-3-acetic acid,2-cyclopentene-1-aceticacid,acmc-1c47k,2-cyclopent-2-enylacetic acid,cyclopent-2-ene-1-acetic acid |
| IUPAC Name | 2-cyclopent-2-en-1-ylacetic acid |
| InChI Key | NNRZTJAACCRFRV-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
3-Methylbenzo[b]thiophene-2-acetic acid, 97%
CAS: 1505-52-8 Molecular Formula: C11H10O2S Molecular Weight (g/mol): 206.259 MDL Number: MFCD00052299 InChI Key: MFVMWBIORCNCNB-UHFFFAOYSA-N Synonym: 2-3-methylbenzo b thiophen-2-yl acetic acid,benzo b thiophene-2-acetic acid, 3-methyl,3-methylbenzo b thiophene-2-acetic acid,3-methylthianaphthene-2-acetic acid,3-methyl-1-benzothiophen-2-yl acetic acid,2-3-methyl-1-benzothiophen-2-yl acetic acid,maybridge1_005368,3-methyl thianaphthene-2acetic acid,3-methylbenzo b-thiophene-2-acetic acid,benzo b thiophene-2-aceticacid,3-methyl PubChem CID: 2779867 IUPAC Name: 2-(3-methyl-1-benzothiophen-2-yl)acetic acid SMILES: CC1=C(SC2=CC=CC=C12)CC(=O)O
| PubChem CID | 2779867 |
|---|---|
| CAS | 1505-52-8 |
| Molecular Weight (g/mol) | 206.259 |
| MDL Number | MFCD00052299 |
| SMILES | CC1=C(SC2=CC=CC=C12)CC(=O)O |
| Synonym | 2-3-methylbenzo b thiophen-2-yl acetic acid,benzo b thiophene-2-acetic acid, 3-methyl,3-methylbenzo b thiophene-2-acetic acid,3-methylthianaphthene-2-acetic acid,3-methyl-1-benzothiophen-2-yl acetic acid,2-3-methyl-1-benzothiophen-2-yl acetic acid,maybridge1_005368,3-methyl thianaphthene-2acetic acid,3-methylbenzo b-thiophene-2-acetic acid,benzo b thiophene-2-aceticacid,3-methyl |
| IUPAC Name | 2-(3-methyl-1-benzothiophen-2-yl)acetic acid |
| InChI Key | MFVMWBIORCNCNB-UHFFFAOYSA-N |
| Molecular Formula | C11H10O2S |
Ethyl 4-cyanophenylacetate, 98%, Thermo Scientific Chemicals
CAS: 1528-41-2 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.214 MDL Number: MFCD09953133 InChI Key: DFEWKWBIPMKGFG-UHFFFAOYSA-N Synonym: ethyl 2-4-cyanophenyl acetate,ethyl 4-cyanophenylacetate,ethyl 4-cyanophenyl acetate,4-cyano-phenyl acetic acid ethyl ester,ethyl p-cyanophenylacetate,acmc-1bve3,ethyl 4-cyanobenzeneacetate,ethyl4-cyanophenylacetate,4-cyanophenylacetic acid ethyl ester PubChem CID: 279718 IUPAC Name: ethyl 2-(4-cyanophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)C#N
| PubChem CID | 279718 |
|---|---|
| CAS | 1528-41-2 |
| Molecular Weight (g/mol) | 189.214 |
| MDL Number | MFCD09953133 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)C#N |
| Synonym | ethyl 2-4-cyanophenyl acetate,ethyl 4-cyanophenylacetate,ethyl 4-cyanophenyl acetate,4-cyano-phenyl acetic acid ethyl ester,ethyl p-cyanophenylacetate,acmc-1bve3,ethyl 4-cyanobenzeneacetate,ethyl4-cyanophenylacetate,4-cyanophenylacetic acid ethyl ester |
| IUPAC Name | ethyl 2-(4-cyanophenyl)acetate |
| InChI Key | DFEWKWBIPMKGFG-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |