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Substance Name: Cyclohexanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
RN: 160790-19-2
InChIKey: QKXWKAIGVBVCPM-UHFFFAOYSA-N

Molecular Formula

  • C14-H18-O4-S

Molecular Weight

  • 282.358
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 160790-19-2

System Generated Number

  • 0160790192

Structure Descriptors

InChI

1S/C14H18O4S/c1-18-13(15)14(10-6-3-7-11-14)19(16,17)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3

InChIKey

QKXWKAIGVBVCPM-UHFFFAOYSA-N

Smiles

c1(ccccc1)S(C1(C(=O)OC)CCCCC1)(=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 114.5 deg C   EXP
log P (octanol-water) 2.3 (none)   EXP
Water Solubility 399 mg/L 25 EXP
Vapor Pressure 1.20E-06 mm Hg 25 EST
Henry's Law Constant 5.40E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.70E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.