Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester

Base Information

• Chemical Name: Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
• CAS No.: 160790-19-2
• Molecular Formula: C14H18 O4 S
• Molecular Weight: 282.36
• DSSTox Substance ID: DTXSID40167005
• Nikkaji Number: J667.580H
• Wikidata: Q83036309
• Mol file: 160790-19-2.mol

Synonyms:160790-19-2;Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester;methyl 1-(benzenesulfonyl)cyclohexane-1-carboxylate;methyl 1-(phenylsulfonyl)cyclohexane-1-carboxylate;DTXSID40167005

Chemical Property of Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester

Chemical Property:

• Vapor Pressure: 1.16E-07mmHg at 25°C
• Melting Point: 114.5 °C
• Boiling Point: 431.9°Cat760mmHg
• Flash Point: 215°C
• PSA: 68.82000
• Density: 1.228g/cm³
• LogP: 3.41700
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 282.09258022
• Heavy Atom Count: 19
• Complexity: 409

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CCCCC1)S(=O)(=O)C2=CC=CC=C2