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Substance Name: Benzoic acid, 2-(acetyloxy)-, (methylthio)methyl ester
RN: 76432-30-9
InChIKey: YFFMJOPTIBTOJH-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-O4-S

Molecular Weight

  • 240.278
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 76432-30-9

System Generated Number

  • 0076432309

Structure Descriptors

InChI

1S/C11H12O4S/c1-8(12)15-10-6-4-3-5-9(10)11(13)14-7-16-2/h3-6H,7H2,1-2H3

InChIKey

YFFMJOPTIBTOJH-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.94 (none)   EXP
Water Solubility 550 mg/L 21 EXP
Vapor Pressure 1.15E-03 mm Hg 25 EST
Henry's Law Constant 4.46E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.51E-11 cm3/molecule-sec 25 EST

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