3-Methylphenylacetylene
1-ethynyl-3-methylbenzene
Also Known As: 3-Ethynyltoluene|1-ethynyl-3-methylbenzene|3-Methylphenylacetylene|m-Tolylacetylene|m-Ethynyltoluene|3-tolylacetylene|1-ethynyl-3-methyl-benzene|3'-Methylphenylacetylene|3-methylphenylethyne|3-Methyl phenylacetylene|(3-Methylphenyl)acetylene|3'-METHYLPHENYL ACETYLENE|ethynyl-3-methylbenzene|ACMC-1BHZB|3-Ethynyltoluene, 97%|Benzene, 1-ethynyl-3-methyl-|1-methyl-3-ethynylbenzene|3-ethynyl-1-methylbenzene|1-(3-Methylphenyl)ethyne|2-(3-Methylphenyl)ethyne|3-Methyl-1-ethynylbenzene|Benzene,1-ethynyl-3-methyl-|RENYIDZOAFFNHC-UHFFFAOYSA-|1949AC|Benzene, 1-ethynyl-3-methyl- (9CI)
| Molecular Formula | CC1=CC(=CC=C1)C#C |
|---|---|
| Molecular Weight | 116.0626 g/mol |
| LogP | 3.1 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.0626 |
| Monoisotopic Mass | 116.0626 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 766-82-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C#C |
| InChIKey | RENYIDZOAFFNHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylphenylacetylene (CAS 766-82-5), with molecular formula CC1=CC(=CC=C1)C#C and molecular weight 116.0626 g/mol. IUPAC: 1-ethynyl-3-methylbenzene.
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