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Substance Name: Acetic acid, ((2-nitrophenyl)sulfinyl)-, 1-methylethyl ester
RN: 139326-43-5
InChIKey: JACZKCHRLPESEQ-UHFFFAOYSA-N

Molecular Formula

  • C11-H13-N-O5-S

Molecular Weight

  • 271.2917
 
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Names and Synonyms

  • Acetic acid, ((2-nitrophenyl)sulfinyl)-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 139326-43-5

System Generated Number

  • 0139326435

Structure Descriptors

InChI

1S/C11H13NO5S/c1-8(2)17-11(13)7-18(16)10-6-4-3-5-9(10)12(14)15/h3-6,8H,7H2,1-2H3

InChIKey

JACZKCHRLPESEQ-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)CS(=O)c1ccccc1[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.59 (none)   EXP
Water Solubility 321 mg/L 25 EST
Vapor Pressure 7.71E-07 mm Hg 25 EST
Henry's Law Constant 1.64E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.57E-11 cm3/molecule-sec 25 EST

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