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Substance Name: Benzoic acid, 2-(acetyloxy)-, (methylsulfonyl)methyl ester
RN: 76432-35-4
InChIKey: PTLSEGBRIAKFIJ-UHFFFAOYSA-N

Molecular Weight

  • 272.276
 
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Names and Synonyms

  • Benzoic acid, 2-(acetyloxy)-, (methylsulfonyl)methyl ester

Registry Numbers

CAS Registry Number

  • 76432-35-4

System Generated Number

  • 0076432354

Structure Descriptors

InChI

1S/C11H12O6S/c1-8(12)17-10-6-4-3-5-9(10)11(13)16-7-18(2,14)15/h3-6H,7H2,1-2H3

InChIKey

PTLSEGBRIAKFIJ-UHFFFAOYSA-N

Smiles

c1(OC(=O)C)ccccc1C(=O)OCS(=O)(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.57 (none)   EXP
Water Solubility 110 mg/L 21 EXP
Vapor Pressure 1.55E-05 mm Hg 25 EST
Henry's Law Constant 3.54E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.34E-11 cm3/molecule-sec 25 EST

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