Phenylpropynoic acid methyl ester
methyl 3-phenylprop-2-ynoate
Also Known As: Methyl phenylpropiolate|Methyl 3-phenylpropiolate|methyl 3-phenylprop-2-ynoate|Methy phenylpropiolate|Methyl Phenylpropargylate|Methyl phenylpropynoate|Phenylpropynoic acid methyl ester|MethylphenYLpropaLATE|METHYLPHENYLPROPIOLATE|ACMC-1AKAE|Methyl 3-phenylpropynoate|Phenylpropiolic acid methyl|Phenylpropynoic acid methyl|Methyl 3-phenyl-2-propynoate|Phenylpropiolic Acid Methyl Ester|2-Propynoic acid, 3-phenyl-, methyl ester|Methyl phenylethynecarboxylate|3-Phenylpropiolic acid methyl|3-Phenylpropynoic acid methyl|methyl-3-phenyl-2-propynoate|Methyl phenylpropiolate, 97%|Methyl phenylacetylenecarboxylate|2-Phenyl-1-carbomethoxyacetylene|Benzenepropiolic acid methyl ester|Benzenepropyneoic acid methyl ester|Phenylpropargylic Acid Methyl Ester|Propiolic acid, phenyl-, methyl ester|Benzenepropargylic acid methyl ester|KS-000011ZC|3-Phenylpropargylic acid methyl ester|Propiolic acid, 3-phenyl-, methyl ester|3-phenyl-prop-2-ynoic acid methyl ester
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05243 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.05243 |
| Monoisotopic Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 4891-38-7 |
|---|---|
| SMILES | COC(=O)C#CC1=CC=CC=C1 |
| InChIKey | JFGWPXKGINUNDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylpropynoic acid methyl ester (CAS 4891-38-7), with molecular formula C10H8O2 and molecular weight 160.05243 g/mol. IUPAC: methyl 3-phenylprop-2-ynoate.
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