Organic acids and derivatives
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(2-Carboxyethyl)phenylphosphinic Acid 98.0+%, TCI America™
CAS: 14657-64-8 Molecular Formula: C9H11O4P Molecular Weight (g/mol): 214.157 MDL Number: MFCD08704562 InChI Key: MORLYCDUFHDZKO-UHFFFAOYSA-N PubChem CID: 11287340 IUPAC Name: 3-[hydroxy(phenyl)phosphoryl]propanoic acid SMILES: C1=CC=C(C=C1)P(=O)(CCC(=O)O)O
| PubChem CID | 11287340 |
|---|---|
| CAS | 14657-64-8 |
| Molecular Weight (g/mol) | 214.157 |
| MDL Number | MFCD08704562 |
| SMILES | C1=CC=C(C=C1)P(=O)(CCC(=O)O)O |
| IUPAC Name | 3-[hydroxy(phenyl)phosphoryl]propanoic acid |
| InChI Key | MORLYCDUFHDZKO-UHFFFAOYSA-N |
| Molecular Formula | C9H11O4P |
2-Methylpentyl Formate 90.0+%, TCI America™
CAS: 381670-34-4 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00059817 InChI Key: KYHHSTLLLQRFHJ-UHFFFAOYNA-N Synonym: Formic Acid 2-Methylpentyl Ester PubChem CID: 537217 IUPAC Name: 2-methylpentyl formate SMILES: CCCC(C)COC=O
| PubChem CID | 537217 |
|---|---|
| CAS | 381670-34-4 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00059817 |
| SMILES | CCCC(C)COC=O |
| Synonym | Formic Acid 2-Methylpentyl Ester |
| IUPAC Name | 2-methylpentyl formate |
| InChI Key | KYHHSTLLLQRFHJ-UHFFFAOYNA-N |
| Molecular Formula | C7H14O2 |
Heptyl Acetate 99.0+%, TCI America™
CAS: 112-06-1 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00027311 InChI Key: ZCZSIDMEHXZRLG-UHFFFAOYSA-N Synonym: Acetic Acid Heptyl Ester PubChem CID: 8159 IUPAC Name: heptyl acetate SMILES: CCCCCCCOC(C)=O
| PubChem CID | 8159 |
|---|---|
| CAS | 112-06-1 |
| Molecular Weight (g/mol) | 158.24 |
| MDL Number | MFCD00027311 |
| SMILES | CCCCCCCOC(C)=O |
| Synonym | Acetic Acid Heptyl Ester |
| IUPAC Name | heptyl acetate |
| InChI Key | ZCZSIDMEHXZRLG-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
Isopropyl Cyanoacetate 97.0+%, TCI America™
CAS: 13361-30-3 Molecular Formula: C6H9NO2 Molecular Weight (g/mol): 127.143 MDL Number: MFCD00019842 InChI Key: BESQLCCRQYTQQI-UHFFFAOYSA-N Synonym: isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph PubChem CID: 25917 IUPAC Name: propan-2-yl 2-cyanoacetate SMILES: CC(C)OC(=O)CC#N
| PubChem CID | 25917 |
|---|---|
| CAS | 13361-30-3 |
| Molecular Weight (g/mol) | 127.143 |
| MDL Number | MFCD00019842 |
| SMILES | CC(C)OC(=O)CC#N |
| Synonym | isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph |
| IUPAC Name | propan-2-yl 2-cyanoacetate |
| InChI Key | BESQLCCRQYTQQI-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO2 |
Ethyl Isovalerate 99.0+%, TCI America™
CAS: 108-64-5 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009203 InChI Key: PPXUHEORWJQRHJ-UHFFFAOYSA-N Synonym: ethyl isovalerate,ethyl 3-methylbutyrate,ethylisovalerate,ethyl isopentanoate,isovaleric acid, ethyl ester,butanoic acid, 3-methyl-, ethyl ester,ethyl beta-methylbutyrate,ethyl isovalerianate,3-methylbutyric acid ethyl ester,3-methylbutanoic acid ethyl ester PubChem CID: 7945 ChEBI: CHEBI:31571 IUPAC Name: ethyl 3-methylbutanoate SMILES: CCOC(=O)CC(C)C
| PubChem CID | 7945 |
|---|---|
| CAS | 108-64-5 |
| Molecular Weight (g/mol) | 130.187 |
| ChEBI | CHEBI:31571 |
| MDL Number | MFCD00009203 |
| SMILES | CCOC(=O)CC(C)C |
| Synonym | ethyl isovalerate,ethyl 3-methylbutyrate,ethylisovalerate,ethyl isopentanoate,isovaleric acid, ethyl ester,butanoic acid, 3-methyl-, ethyl ester,ethyl beta-methylbutyrate,ethyl isovalerianate,3-methylbutyric acid ethyl ester,3-methylbutanoic acid ethyl ester |
| IUPAC Name | ethyl 3-methylbutanoate |
| InChI Key | PPXUHEORWJQRHJ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Butyl 2-Methylvalerate 98.0+%, TCI America™
CAS: 6297-41-2 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 InChI Key: FMVUGLMJUHFPSJ-UHFFFAOYSA-N Synonym: 2-Methylvaleric Acid Butyl Ester, Butyl 2-Methylpentanoate, 2-Methylpentanoic Acid Butyl Ester PubChem CID: 95539 IUPAC Name: butyl 2-methylpentanoate SMILES: CCCCOC(=O)C(C)CCC
| PubChem CID | 95539 |
|---|---|
| CAS | 6297-41-2 |
| Molecular Weight (g/mol) | 172.268 |
| SMILES | CCCCOC(=O)C(C)CCC |
| Synonym | 2-Methylvaleric Acid Butyl Ester, Butyl 2-Methylpentanoate, 2-Methylpentanoic Acid Butyl Ester |
| IUPAC Name | butyl 2-methylpentanoate |
| InChI Key | FMVUGLMJUHFPSJ-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
tert-Butyl 5-Norbornene-2-carboxylate (endo- and exo- mixture) 95.0+%, TCI America™
CAS: 154970-45-3 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.274 MDL Number: MFCD18083704 InChI Key: BZBMBZJUNPMEBD-UHFFFAOYSA-N Synonym: 5-Norbornene-2-carboxylic Acid tert-Butyl Ester, tert-Butyl Bicyclo[2.2.1]hept-5-ene-2-carboxylate, Bicyclo[2.2.1]hept-5-ene-2-carboxylic Acid tert-Butyl Ester PubChem CID: 15607334 IUPAC Name: tert-butyl bicyclo[2.2.1]hept-2-ene-5-carboxylate SMILES: CC(C)(C)OC(=O)C1CC2CC1C=C2
| PubChem CID | 15607334 |
|---|---|
| CAS | 154970-45-3 |
| Molecular Weight (g/mol) | 194.274 |
| MDL Number | MFCD18083704 |
| SMILES | CC(C)(C)OC(=O)C1CC2CC1C=C2 |
| Synonym | 5-Norbornene-2-carboxylic Acid tert-Butyl Ester, tert-Butyl Bicyclo[2.2.1]hept-5-ene-2-carboxylate, Bicyclo[2.2.1]hept-5-ene-2-carboxylic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl bicyclo[2.2.1]hept-2-ene-5-carboxylate |
| InChI Key | BZBMBZJUNPMEBD-UHFFFAOYSA-N |
| Molecular Formula | C12H18O2 |
3-(Acetylthio)propionic Acid 98.0+%, TCI America™
CAS: 41345-70-4 Molecular Formula: C5H8O3S Molecular Weight (g/mol): 148.176 MDL Number: MFCD06208418 InChI Key: AYQXANXXZYKTDL-UHFFFAOYSA-N Synonym: 3-(Acetylthio)propanoic Acid PubChem CID: 262719 IUPAC Name: 3-acetylsulfanylpropanoic acid SMILES: CC(=O)SCCC(=O)O
| PubChem CID | 262719 |
|---|---|
| CAS | 41345-70-4 |
| Molecular Weight (g/mol) | 148.176 |
| MDL Number | MFCD06208418 |
| SMILES | CC(=O)SCCC(=O)O |
| Synonym | 3-(Acetylthio)propanoic Acid |
| IUPAC Name | 3-acetylsulfanylpropanoic acid |
| InChI Key | AYQXANXXZYKTDL-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3S |
1,3-Dimethyl-1H-pyrazole-5-carboxylic Acid 98.0+%, TCI America™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 1,3-dimethyl-1H-pyrazole-5-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
| PubChem CID | 587721 |
|---|---|
| CAS | 5744-56-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00159636 |
| SMILES | CN1N=C(C)C=C1C(O)=O |
| Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
| IUPAC Name | 1,3-dimethyl-1H-pyrazole-5-carboxylic acid |
| InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
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 |
Ethyl 1-Adamantanecarboxylate 98.0+%, TCI America™
CAS: 2094-73-7 Molecular Formula: C13H20O2 Molecular Weight (g/mol): 208.30 MDL Number: MFCD00078272 InChI Key: SYEXGNJRYPOUSI-UHFFFAOYSA-N Synonym: 1-adamantanecarboxylic acid ethyl ester,ethyl 1-adamantanecarboxylate,ethyladamantane-1-carboxylate,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, ethyl ester,ethyl tricyclo 3.3.1.13,7 decane-1-carboxylate,tricyclo 3.3.1.1 3,7-decane-1-carboxylic acid, ethyl ester,pubchem8778,acmc-1cctj,1-ethoxycarbonyladamantane,ethyl adamantanecarboxylate PubChem CID: 123141 IUPAC Name: ethyl adamantane-1-carboxylate SMILES: CCOC(=O)C12CC3CC(CC(C3)C1)C2
| PubChem CID | 123141 |
|---|---|
| CAS | 2094-73-7 |
| Molecular Weight (g/mol) | 208.30 |
| MDL Number | MFCD00078272 |
| SMILES | CCOC(=O)C12CC3CC(CC(C3)C1)C2 |
| Synonym | 1-adamantanecarboxylic acid ethyl ester,ethyl 1-adamantanecarboxylate,ethyladamantane-1-carboxylate,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, ethyl ester,ethyl tricyclo 3.3.1.13,7 decane-1-carboxylate,tricyclo 3.3.1.1 3,7-decane-1-carboxylic acid, ethyl ester,pubchem8778,acmc-1cctj,1-ethoxycarbonyladamantane,ethyl adamantanecarboxylate |
| IUPAC Name | ethyl adamantane-1-carboxylate |
| InChI Key | SYEXGNJRYPOUSI-UHFFFAOYSA-N |
| Molecular Formula | C13H20O2 |
Ethyl 2-Methylvalerate 98.0+%, TCI America™
CAS: 39255-32-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00036564 InChI Key: HZPKNSYIDSNZKW-UHFFFAOYNA-N Synonym: ethyl 2-methylvalerate,manzanate,pentanoic acid, 2-methyl-, ethyl ester,melon valerate,ethyl alpha-methylvalerate,ethyl .alpha.-methylvalerate,fema no. 3488,ethyl,a-methylvalerate,acmc-1ahki,ethyl 2-methyl pentanoate PubChem CID: 62902 IUPAC Name: ethyl 2-methylpentanoate SMILES: CCCC(C)C(=O)OCC
| PubChem CID | 62902 |
|---|---|
| CAS | 39255-32-8 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00036564 |
| SMILES | CCCC(C)C(=O)OCC |
| Synonym | ethyl 2-methylvalerate,manzanate,pentanoic acid, 2-methyl-, ethyl ester,melon valerate,ethyl alpha-methylvalerate,ethyl .alpha.-methylvalerate,fema no. 3488,ethyl,a-methylvalerate,acmc-1ahki,ethyl 2-methyl pentanoate |
| IUPAC Name | ethyl 2-methylpentanoate |
| InChI Key | HZPKNSYIDSNZKW-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
1-Penten-3-yl Acetate 97.0+%, TCI America™
CAS: 10500-11-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD02093427 InChI Key: MRLKTTBPWZXARX-UHFFFAOYSA-N Synonym: Acetic Acid 1-Ethylallyl Ester, Acetic Acid 1-Penten-3-yl Ester, 1-Ethylallyl Acetate PubChem CID: 530323 IUPAC Name: pent-1-en-3-yl acetate SMILES: CCC(C=C)OC(=O)C
| PubChem CID | 530323 |
|---|---|
| CAS | 10500-11-5 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD02093427 |
| SMILES | CCC(C=C)OC(=O)C |
| Synonym | Acetic Acid 1-Ethylallyl Ester, Acetic Acid 1-Penten-3-yl Ester, 1-Ethylallyl Acetate |
| IUPAC Name | pent-1-en-3-yl acetate |
| InChI Key | MRLKTTBPWZXARX-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
cis-3-Hexenyl cis-3-Hexenoate 95.0+%, TCI America™
CAS: 61444-38-0 Molecular Formula: C12H20O2 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00036652 InChI Key: UZJQQWFHPLYECS-SFECMWDFSA-N Synonym: cis-3-Hexenoic Acid cis-3-Hexenyl Ester PubChem CID: 6435882 IUPAC Name: [(Z)-hex-3-enyl] (Z)-hex-3-enoate SMILES: CCC=CCCOC(=O)CC=CCC
| PubChem CID | 6435882 |
|---|---|
| CAS | 61444-38-0 |
| Molecular Weight (g/mol) | 196.29 |
| MDL Number | MFCD00036652 |
| SMILES | CCC=CCCOC(=O)CC=CCC |
| Synonym | cis-3-Hexenoic Acid cis-3-Hexenyl Ester |
| IUPAC Name | [(Z)-hex-3-enyl] (Z)-hex-3-enoate |
| InChI Key | UZJQQWFHPLYECS-SFECMWDFSA-N |
| Molecular Formula | C12H20O2 |
Ethyl Phenylcyanoacetate 95.0+%, TCI America™
CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N Synonym: ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester PubChem CID: 95298 ChEBI: CHEBI:51926 IUPAC Name: ethyl 2-cyano-2-phenylacetate SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1
| PubChem CID | 95298 |
|---|---|
| CAS | 4553-07-5 |
| Molecular Weight (g/mol) | 189.21 |
| ChEBI | CHEBI:51926 |
| MDL Number | MFCD00001866 |
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=C1 |
| Synonym | ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester |
| IUPAC Name | ethyl 2-cyano-2-phenylacetate |
| InChI Key | SXIRJEDGTAKGKU-UHFFFAOYNA-N |
| Molecular Formula | C11H11NO2 |