3-(4-Methylphenyl)prop-2-ynoic acid structure

3-(4-Methylphenyl)prop-2-ynoic acid

3-(4-methylphenyl)prop-2-ynoic acid

Also Known As: 3-(4-methylphenyl)prop-2-ynoic acid|3-(p-tolyl)propiolic acid|p-Tolyl-propynoic acid|4-methylphenylpropiolic acid|3-(p-tolyl)propiolicacid|(4-Methylphenyl)propiolic acid|3-(p-Tolyl)propyneoic acid|3-(p-Tolyl)-propiolic acid|4-Methylbenzenepropiolic acid|3-(4-Methylphenyl)-2-propynoic acid|(4-Methylphenyl)propyneoic acid|3-(p-tolyl)prop-2-ynoic acid|KS-00001KLF|3-(4-methylphenyl)propiolic acid|3-(4-methylphenyl)propynoic acid|3-(4-Methylphenyl)propyneoic acid|3-(4-Methylphenyl)propargylic acid|2-(p-Tolyl)ethyne-1-carboxylic acid|CS-W018356|4-Methyl-1-(propynoic acid-3-yl)benzene|J1.237.315E|862-244-1

CAS: 2227-58-9
Molecular Formula C10H8O2
Molecular Weight 160.05243 g/mol
LogP 2.4
Topological Polar Surface Area 37.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 1
Exact Mass 160.05243
Monoisotopic Mass 160.05243
Heavy Atoms 12
Complexity 223.0

Chemical Identifiers

CAS Number 2227-58-9
SMILES CC1=CC=C(C=C1)C#CC(=O)O
InChIKey DVXIRBTZXZKOPP-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (21 patents) Pharmaceutical Intermediates (16 patents)

Product Overview

3-(4-Methylphenyl)prop-2-ynoic acid (CAS 2227-58-9), with molecular formula C10H8O2 and molecular weight 160.05243 g/mol. IUPAC: 3-(4-methylphenyl)prop-2-ynoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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