6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid structure

6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid

6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Also Known As: 6-{[(3-chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid|6-((3-chlorobenzyl)carbamoyl)-3,4-dimethylcyclohex-3-enecarboxylic acid|6-[(3-chlorobenzyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid|6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic Acid|6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid|6-{N-[(3-chlorophenyl)methyl]carbamoyl}-3,4-dimethylcyclohex-3-enecarboxylic a cid

CAS: 899587-83-8
Molecular Formula C17H20ClNO3
Molecular Weight 321.11316 g/mol
LogP 3.4034
Topological Polar Surface Area 66.4 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
Rotatable Bonds 4
Exact Mass 321.11316
Monoisotopic Mass 321.11316
Heavy Atoms 22
Complexity 624.085

Chemical Identifiers

CAS Number 899587-83-8
SMILES CC1=C(CC(C(C1)C(=O)NCC2=CC(=CC=C2)Cl)C(=O)O)C

Product Overview

6-{[(3-Chlorobenzyl)amino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid (CAS 899587-83-8), with molecular formula C17H20ClNO3 and molecular weight 321.11316 g/mol. IUPAC: 6-[(3-chlorophenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic 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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