2-(4-Chlorophenyl)-4-hydroxy-3-methylbutanoic acid structure

2-(4-Chlorophenyl)-4-hydroxy-3-methylbutanoic acid

2-(4-chlorophenyl)-4-hydroxy-3-methylbutanoic acid

Also Known As: ethyl bis(phenylselanyl)acetate|2-(4-chlorophenyl)-4-hydroxy-3-methylbutanoic acid|4-Chloro-alpha-(2-hydroxy-1-methylethyl)benzeneacetic acid|Benzeneacetic acid, 4-chloro-alpha-(2-hydroxy-1-methylethyl)-

CAS: 72041-47-5
Molecular Formula C11H13ClO3
Molecular Weight 228.05533 g/mol
LogP 2.2
Topological Polar Surface Area 57.5 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 228.05533
Monoisotopic Mass 228.05533
Heavy Atoms 15
Complexity 212.0

Chemical Identifiers

CAS Number 72041-47-5
SMILES CC(CO)C(C1=CC=C(C=C1)Cl)C(=O)O
InChIKey RXPMQYVZXUPQKZ-UHFFFAOYSA-N

Product Overview

2-(4-Chlorophenyl)-4-hydroxy-3-methylbutanoic acid (CAS 72041-47-5), with molecular formula C11H13ClO3 and molecular weight 228.05533 g/mol. IUPAC: 2-(4-chlorophenyl)-4-hydroxy-3-methylbutanoic 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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