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Substance Name: Cyclopropanecarboxylic acid, 1-((4-methylphenyl)sulfonyl)-, methyl ester
RN: 145348-19-2
InChIKey: GQFAQGSQOWKLHH-UHFFFAOYSA-N

Molecular Formula

  • C12-H14-O4-S

Molecular Weight

  • 254.305
 
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Names and Synonyms

Synonym

  • Methyl 1-((4-methylphenyl)sulfonyl)cyclopropanecarboxylate

Systematic Name

  • Cyclopropanecarboxylic acid, 1-((4-methylphenyl)sulfonyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 145348-19-2

System Generated Number

  • 0145348192

Structure Descriptors

InChI

1S/C12H14O4S/c1-9-3-5-10(6-4-9)17(14,15)12(7-8-12)11(13)16-2/h3-6H,7-8H2,1-2H3

InChIKey

GQFAQGSQOWKLHH-UHFFFAOYSA-N

Smiles

c1cc(C)ccc1S(=O)(=O)C1(C(=O)OC)CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 97.2 deg C   EXP
log P (octanol-water) 1.77 (none)   EXP
Water Solubility 335 mg/L 25 EXP
Vapor Pressure 6.87E-06 mm Hg 25 EST
Henry's Law Constant 2.55E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.50E-12 cm3/molecule-sec 25 EST

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