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Substance Name: Cyclopentanecarboxylic acid, 1-(phenylsulfonyl)-, methyl ester
RN: 160790-18-1
InChIKey: AXNXBYAMXGSWLR-UHFFFAOYSA-N

Molecular Formula

  • C13-H16-O4-S

Molecular Weight

  • 268.331
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 160790-18-1

System Generated Number

  • 0160790181

Structure Descriptors

InChI

1S/C13H16O4S/c1-17-12(14)13(9-5-6-10-13)18(15,16)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3

InChIKey

AXNXBYAMXGSWLR-UHFFFAOYSA-N

Smiles

S(C1(C(=O)OC)CCCC1)(=O)(=O)c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 56.5 deg C   EXP
log P (octanol-water) 1.98 (none)   EXP
Water Solubility 756 mg/L 25 EXP
Vapor Pressure 2.92E-06 mm Hg 25 EST
Henry's Law Constant 4.07E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.25E-12 cm3/molecule-sec 25 EST

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