Methyl 2-ethynylbenzoate
methyl 2-ethynylbenzoate
Also Known As: Methyl 2-ethynylbenzoate|benzoic acid, 2-ethynyl-, methyl ester|methyl ethynylbenzoate|Methyl2-ethynylbenzoate|2-Ethynyl-benzoic acid methyl ester|methyl?2-ethynylbenzoate|AMBZ0198|LBMDZNOARBBHHG-UHFFFAOYSA|ortho-methoxycarbonylphenylacetylene|KS-00000OXE|LBMDZNOARBBHHG-UHFFFAOYSA-|2-ethynylbenzoic acid methyl ester|NCI60_017236|methyl 2-ethynylbenzoate, 95% - 1G 1g|2-ETHYNYL BENZOIC ACID METHYL ESTER|4CH-024912|J1.214.116E
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05243 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.05243 |
| Monoisotopic Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 33577-99-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C#C |
| InChIKey | LBMDZNOARBBHHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-ethynylbenzoate (CAS 33577-99-0), with molecular formula C10H8O2 and molecular weight 160.05243 g/mol. IUPAC: methyl 2-ethynylbenzoate.
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