Organic acids and derivatives
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Isobutyl Crotonate 98.0+%, TCI America™
CAS: 589-66-2 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00036651 InChI Key: XDOWKOALJBOBBL-PLNGDYQASA-N Synonym: Crotonic Acid Isobutyl Ester, Isobutyl 2-Butenoate, 2-Butenoic Acid Isobuyl Ester PubChem CID: 6435824 IUPAC Name: 2-methylpropyl (2Z)-but-2-enoate SMILES: C\C=C/C(=O)OCC(C)C
| PubChem CID | 6435824 |
|---|---|
| CAS | 589-66-2 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00036651 |
| SMILES | C\C=C/C(=O)OCC(C)C |
| Synonym | Crotonic Acid Isobutyl Ester, Isobutyl 2-Butenoate, 2-Butenoic Acid Isobuyl Ester |
| IUPAC Name | 2-methylpropyl (2Z)-but-2-enoate |
| InChI Key | XDOWKOALJBOBBL-PLNGDYQASA-N |
| Molecular Formula | C8H14O2 |
Diethyl Acetylenedicarboxylate 96.0+%, TCI America™
CAS: 762-21-0 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.164 MDL Number: MFCD00009186 InChI Key: STRNXFOUBFLVIN-UHFFFAOYSA-N Synonym: diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate PubChem CID: 69803 IUPAC Name: diethyl but-2-ynedioate SMILES: CCOC(=O)C#CC(=O)OCC
| PubChem CID | 69803 |
|---|---|
| CAS | 762-21-0 |
| Molecular Weight (g/mol) | 170.164 |
| MDL Number | MFCD00009186 |
| SMILES | CCOC(=O)C#CC(=O)OCC |
| Synonym | diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate |
| IUPAC Name | diethyl but-2-ynedioate |
| InChI Key | STRNXFOUBFLVIN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
Methyl Methanesulfonylacetate 98.0+%, TCI America™
CAS: 62020-09-1 Molecular Formula: C4H8O4S Molecular Weight (g/mol): 152.16 MDL Number: MFCD00051842 InChI Key: RQKDASVRZONLNQ-UHFFFAOYSA-N Synonym: methyl methanesulfonylacetate,methyl 2-methanesulfonylacetate,methyl 2-methylsulfonyl acetate,methyl methylsulfonylacetate,methanesulfonylacetic acid methyl ester,acmc-1b4fd,methyl methylsulfonyl acetate,2-methylsulfonyl-1-methoxyethanone,methylsulfonylacetic acid methyl ester,methanesulfonyl acetic acid methyl ester PubChem CID: 2759918 IUPAC Name: methyl 2-methanesulfonylacetate SMILES: COC(=O)CS(C)(=O)=O
| PubChem CID | 2759918 |
|---|---|
| CAS | 62020-09-1 |
| Molecular Weight (g/mol) | 152.16 |
| MDL Number | MFCD00051842 |
| SMILES | COC(=O)CS(C)(=O)=O |
| Synonym | methyl methanesulfonylacetate,methyl 2-methanesulfonylacetate,methyl 2-methylsulfonyl acetate,methyl methylsulfonylacetate,methanesulfonylacetic acid methyl ester,acmc-1b4fd,methyl methylsulfonyl acetate,2-methylsulfonyl-1-methoxyethanone,methylsulfonylacetic acid methyl ester,methanesulfonyl acetic acid methyl ester |
| IUPAC Name | methyl 2-methanesulfonylacetate |
| InChI Key | RQKDASVRZONLNQ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O4S |
Ethyl alpha-Cyanocinnamate 98.0+%, TCI America™
CAS: 2025-40-3 Molecular Formula: C12H11NO2 Molecular Weight (g/mol): 201.225 MDL Number: MFCD00009137 InChI Key: KCDAMWRCUXGACP-FLIBITNWSA-N Synonym: 2-Cyano-3-phenylacrylic Acid Ethyl Ester, alpha-Cyanocinnamic Acid Ethyl Ester, Ethyl 2-Cyano-3-phenylacrylate PubChem CID: 5354392 IUPAC Name: ethyl (Z)-2-cyano-3-phenylprop-2-enoate SMILES: CCOC(=O)C(=CC1=CC=CC=C1)C#N
| PubChem CID | 5354392 |
|---|---|
| CAS | 2025-40-3 |
| Molecular Weight (g/mol) | 201.225 |
| MDL Number | MFCD00009137 |
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1)C#N |
| Synonym | 2-Cyano-3-phenylacrylic Acid Ethyl Ester, alpha-Cyanocinnamic Acid Ethyl Ester, Ethyl 2-Cyano-3-phenylacrylate |
| IUPAC Name | ethyl (Z)-2-cyano-3-phenylprop-2-enoate |
| InChI Key | KCDAMWRCUXGACP-FLIBITNWSA-N |
| Molecular Formula | C12H11NO2 |
Methyl Pyrrole-2-carboxylate 98.0+%, TCI America™
CAS: 1193-62-0 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD00817048 InChI Key: VONGYFFEWFJHNP-UHFFFAOYSA-N Synonym: methyl pyrrole-2-carboxylate,methyl 2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, methyl ester,unii-3beg2ck3lu,pyrrole-2-carboxylic acid methyl ester,methyl1h-pyrrole-2-carboxylate,3beg2ck3lu,1h-pyrrole-2-carboxylic acid,methyl ester,pubchem9141,acmc-1bsa1 PubChem CID: 136930 IUPAC Name: methyl 1H-pyrrole-2-carboxylate SMILES: COC(=O)C1=CC=CN1
| PubChem CID | 136930 |
|---|---|
| CAS | 1193-62-0 |
| Molecular Weight (g/mol) | 125.127 |
| MDL Number | MFCD00817048 |
| SMILES | COC(=O)C1=CC=CN1 |
| Synonym | methyl pyrrole-2-carboxylate,methyl 2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, methyl ester,unii-3beg2ck3lu,pyrrole-2-carboxylic acid methyl ester,methyl1h-pyrrole-2-carboxylate,3beg2ck3lu,1h-pyrrole-2-carboxylic acid,methyl ester,pubchem9141,acmc-1bsa1 |
| IUPAC Name | methyl 1H-pyrrole-2-carboxylate |
| InChI Key | VONGYFFEWFJHNP-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
sec-Butyl Crotonate 97.0+%, TCI America™
CAS: 10371-45-6 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00059054 InChI Key: KAKJZWSUVDRWQU-GQCTYLIASA-N Synonym: Crotonic Acid sec-Butyl Ester PubChem CID: 5366041 IUPAC Name: butan-2-yl (E)-but-2-enoate SMILES: CCC(C)OC(=O)C=CC
| PubChem CID | 5366041 |
|---|---|
| CAS | 10371-45-6 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00059054 |
| SMILES | CCC(C)OC(=O)C=CC |
| Synonym | Crotonic Acid sec-Butyl Ester |
| IUPAC Name | butan-2-yl (E)-but-2-enoate |
| InChI Key | KAKJZWSUVDRWQU-GQCTYLIASA-N |
| Molecular Formula | C8H14O2 |
Methyl 2-Chloropropionate 95.0+%, TCI America™
CAS: 17639-93-9 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.55 MDL Number: MFCD00000863 InChI Key: JLEJCNOTNLZCHQ-UHFFFAOYNA-N Synonym: methyl 2-chloropropionate,propanoic acid, 2-chloro-, methyl ester,2-chloropropionic acid methyl ester,propionic acid, 2-chloro-, methyl ester,methyl alpha-chloropropionate,methyl .alpha.-chloropropionate,.alpha.-chloropropionic acid methyl ester,propanoic acid, 2-chloro-, methyl ester, s,ch3chclc o och3,acmc-1bl6f PubChem CID: 28659 IUPAC Name: methyl 2-chloropropanoate SMILES: COC(=O)C(C)Cl
| PubChem CID | 28659 |
|---|---|
| CAS | 17639-93-9 |
| Molecular Weight (g/mol) | 122.55 |
| MDL Number | MFCD00000863 |
| SMILES | COC(=O)C(C)Cl |
| Synonym | methyl 2-chloropropionate,propanoic acid, 2-chloro-, methyl ester,2-chloropropionic acid methyl ester,propionic acid, 2-chloro-, methyl ester,methyl alpha-chloropropionate,methyl .alpha.-chloropropionate,.alpha.-chloropropionic acid methyl ester,propanoic acid, 2-chloro-, methyl ester, s,ch3chclc o och3,acmc-1bl6f |
| IUPAC Name | methyl 2-chloropropanoate |
| InChI Key | JLEJCNOTNLZCHQ-UHFFFAOYNA-N |
| Molecular Formula | C4H7ClO2 |
Dimethyl 1,4-Phenylenediacrylate 95.0+%, TCI America™
CAS: 7549-44-2 Molecular Formula: C14H14O4 Molecular Weight (g/mol): 246.26 MDL Number: MFCD00185690 InChI Key: IFNSXAJHSAPYLB-UHFFFAOYSA-N Synonym: 1,4-Phenylenediacrylic Acid Dimethyl Ester PubChem CID: 6025991 IUPAC Name: methyl 3-[4-(3-methoxy-3-oxoprop-1-en-1-yl)phenyl]prop-2-enoate SMILES: COC(=O)C=CC1=CC=C(C=CC(=O)OC)C=C1
| PubChem CID | 6025991 |
|---|---|
| CAS | 7549-44-2 |
| Molecular Weight (g/mol) | 246.26 |
| MDL Number | MFCD00185690 |
| SMILES | COC(=O)C=CC1=CC=C(C=CC(=O)OC)C=C1 |
| Synonym | 1,4-Phenylenediacrylic Acid Dimethyl Ester |
| IUPAC Name | methyl 3-[4-(3-methoxy-3-oxoprop-1-en-1-yl)phenyl]prop-2-enoate |
| InChI Key | IFNSXAJHSAPYLB-UHFFFAOYSA-N |
| Molecular Formula | C14H14O4 |
Methyl (R)-(+)-2-Chloropropionate 98.0+%, TCI America™
CAS: 77287-29-7 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.548 MDL Number: MFCD00062940 InChI Key: JLEJCNOTNLZCHQ-GSVOUGTGSA-N Synonym: (R)-(+)-2-Chloropropionic Acid Methyl Ester PubChem CID: 149593 IUPAC Name: methyl (2R)-2-chloropropanoate SMILES: CC(C(=O)OC)Cl
| PubChem CID | 149593 |
|---|---|
| CAS | 77287-29-7 |
| Molecular Weight (g/mol) | 122.548 |
| MDL Number | MFCD00062940 |
| SMILES | CC(C(=O)OC)Cl |
| Synonym | (R)-(+)-2-Chloropropionic Acid Methyl Ester |
| IUPAC Name | methyl (2R)-2-chloropropanoate |
| InChI Key | JLEJCNOTNLZCHQ-GSVOUGTGSA-N |
| Molecular Formula | C4H7ClO2 |
Methyl (S)-(-)-2-Chloropropionate 98.0+%, TCI America™
CAS: 73246-45-4 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.55 MDL Number: MFCD00062941 InChI Key: JLEJCNOTNLZCHQ-VKHMYHEASA-N Synonym: (S)-(-)-2-Chloropropionic Acid Methyl Ester PubChem CID: 135535 IUPAC Name: methyl (2S)-2-chloropropanoate SMILES: COC(=O)[C@H](C)Cl
| PubChem CID | 135535 |
|---|---|
| CAS | 73246-45-4 |
| Molecular Weight (g/mol) | 122.55 |
| MDL Number | MFCD00062941 |
| SMILES | COC(=O)[C@H](C)Cl |
| Synonym | (S)-(-)-2-Chloropropionic Acid Methyl Ester |
| IUPAC Name | methyl (2S)-2-chloropropanoate |
| InChI Key | JLEJCNOTNLZCHQ-VKHMYHEASA-N |
| Molecular Formula | C4H7ClO2 |
Methyl Bromoacetate 98.0+%, TCI America™
CAS: 96-32-2 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.975 MDL Number: MFCD00000189 InChI Key: YDCHPLOFQATIDS-UHFFFAOYSA-N Synonym: methyl bromoacetate,bromoacetic acid methyl ester,methyl monobromoacetate,acetic acid, bromo-, methyl ester,methyl alpha-bromoacetate,methylbromoacetate,acetic acid, 2-bromo-, methyl ester,methylester kyseliny bromoctove,methyl .alpha.-bromoacetate,methylester kyseliny bromoctove czech PubChem CID: 60984 IUPAC Name: methyl 2-bromoacetate SMILES: COC(=O)CBr
| PubChem CID | 60984 |
|---|---|
| CAS | 96-32-2 |
| Molecular Weight (g/mol) | 152.975 |
| MDL Number | MFCD00000189 |
| SMILES | COC(=O)CBr |
| Synonym | methyl bromoacetate,bromoacetic acid methyl ester,methyl monobromoacetate,acetic acid, bromo-, methyl ester,methyl alpha-bromoacetate,methylbromoacetate,acetic acid, 2-bromo-, methyl ester,methylester kyseliny bromoctove,methyl .alpha.-bromoacetate,methylester kyseliny bromoctove czech |
| IUPAC Name | methyl 2-bromoacetate |
| InChI Key | YDCHPLOFQATIDS-UHFFFAOYSA-N |
| Molecular Formula | C3H5BrO2 |
Dimethyl (-)-2,3-O-Isopropylidene-L-tartrate 95.0+%, TCI America™
CAS: 37031-29-1 Molecular Formula: C9H14O6 Molecular Weight (g/mol): 218.21 MDL Number: MFCD00066218 InChI Key: ROZOUYVVWUTPNG-PHDIDXHHSA-N Synonym: 4r,5r-dimethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate,4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid dimethyl ester,--dimethyl 2,3-o-isopropylidene-l-tartrate,dimethyl 4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate,--dimethyl-2,3-o-isopropylidene-l-tartrate,4,5-dimethyl 4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate,pubchem6766,dimethyl--2,3-o-isopropylidene-l-tartrate,ksc917k0j,rozouyvvwutpng-phdidxhhsa PubChem CID: 688155 IUPAC Name: 4,5-dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate SMILES: COC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC
| PubChem CID | 688155 |
|---|---|
| CAS | 37031-29-1 |
| Molecular Weight (g/mol) | 218.21 |
| MDL Number | MFCD00066218 |
| SMILES | COC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC |
| Synonym | 4r,5r-dimethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate,4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid dimethyl ester,--dimethyl 2,3-o-isopropylidene-l-tartrate,dimethyl 4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate,--dimethyl-2,3-o-isopropylidene-l-tartrate,4,5-dimethyl 4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate,pubchem6766,dimethyl--2,3-o-isopropylidene-l-tartrate,ksc917k0j,rozouyvvwutpng-phdidxhhsa |
| IUPAC Name | 4,5-dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate |
| InChI Key | ROZOUYVVWUTPNG-PHDIDXHHSA-N |
| Molecular Formula | C9H14O6 |
Benzyl Tiglate 97.0+%, TCI America™
CAS: 37526-88-8 Molecular Formula: C12H14O2 Molecular Weight (g/mol): 190.24 MDL Number: MFCD00017279 InChI Key: QRGSTISKDZCDHV-XCVCLJGOSA-N Synonym: benzyl tiglate,benzyl 2-methylcrotonate,benzyl trans-2,3-dimethylacrylate,e-benzyl 2-methylbut-2-enoate,benzyl trans-2-methyl-2-butenoate,unii-67uep899rr,benzyl 2-methyl-2-butenoate,benzyl trans-2-methylcrotonate,tiglic acid benzyl ester,benzyltiglate PubChem CID: 250096 IUPAC Name: benzyl (2E)-2-methylbut-2-enoate SMILES: C\C=C(/C)C(=O)OCC1=CC=CC=C1
| PubChem CID | 250096 |
|---|---|
| CAS | 37526-88-8 |
| Molecular Weight (g/mol) | 190.24 |
| MDL Number | MFCD00017279 |
| SMILES | C\C=C(/C)C(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl tiglate,benzyl 2-methylcrotonate,benzyl trans-2,3-dimethylacrylate,e-benzyl 2-methylbut-2-enoate,benzyl trans-2-methyl-2-butenoate,unii-67uep899rr,benzyl 2-methyl-2-butenoate,benzyl trans-2-methylcrotonate,tiglic acid benzyl ester,benzyltiglate |
| IUPAC Name | benzyl (2E)-2-methylbut-2-enoate |
| InChI Key | QRGSTISKDZCDHV-XCVCLJGOSA-N |
| Molecular Formula | C12H14O2 |
Ethyl trans-2-Octenoate 96.0+%, TCI America™
CAS: 7367-82-0 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00015287 InChI Key: AISZSTYLOVXFII-CMDGGOBGSA-N Synonym: ethyl trans-2-octenoate,ethyl 2-octenoate,ethyl e-2-octenoate,ethyl e-oct-2-enoate,2-octenoic acid, ethyl ester,ethyl 2-octenoate, trans,unii-44bpd919tx,2-octenoic acid, ethyl ester, e,fema no. 3643,ethyl oct-2-enoate PubChem CID: 5364399 IUPAC Name: ethyl (E)-oct-2-enoate SMILES: CCCCCC=CC(=O)OCC
| PubChem CID | 5364399 |
|---|---|
| CAS | 7367-82-0 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00015287 |
| SMILES | CCCCCC=CC(=O)OCC |
| Synonym | ethyl trans-2-octenoate,ethyl 2-octenoate,ethyl e-2-octenoate,ethyl e-oct-2-enoate,2-octenoic acid, ethyl ester,ethyl 2-octenoate, trans,unii-44bpd919tx,2-octenoic acid, ethyl ester, e,fema no. 3643,ethyl oct-2-enoate |
| IUPAC Name | ethyl (E)-oct-2-enoate |
| InChI Key | AISZSTYLOVXFII-CMDGGOBGSA-N |
| Molecular Formula | C10H18O2 |
Methyl (3,5-Dimethoxyphenyl)acetate 98.0+%, TCI America™
CAS: 6512-32-9 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00089971 InChI Key: CLZWNNSTRIEAMH-UHFFFAOYSA-N Synonym: (3,5-Dimethoxyphenyl)acetic Acid Methyl Ester PubChem CID: 592191 IUPAC Name: methyl 2-(3,5-dimethoxyphenyl)acetate SMILES: COC1=CC(=CC(=C1)CC(=O)OC)OC
| PubChem CID | 592191 |
|---|---|
| CAS | 6512-32-9 |
| Molecular Weight (g/mol) | 210.229 |
| MDL Number | MFCD00089971 |
| SMILES | COC1=CC(=CC(=C1)CC(=O)OC)OC |
| Synonym | (3,5-Dimethoxyphenyl)acetic Acid Methyl Ester |
| IUPAC Name | methyl 2-(3,5-dimethoxyphenyl)acetate |
| InChI Key | CLZWNNSTRIEAMH-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |