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Substance Name: Cyclopropanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester
RN: 145348-27-2
InChIKey: WUAIGAOSYROCOI-UHFFFAOYSA-N

Molecular Formula

  • C13-H15-N-O6-S

Molecular Weight

  • 313.328
 
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Names and Synonyms

Synonym

  • 1-Methylethyl 1-((4-nitrophenyl)sulfonyl)cyclopropanecarboxylate

Systematic Name

  • Cyclopropanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 145348-27-2

System Generated Number

  • 0145348272

Structure Descriptors

InChI

1S/C13H15NO6S/c1-9(2)20-12(15)13(7-8-13)21(18,19)11-5-3-10(4-6-11)14(16)17/h3-6,9H,7-8H2,1-2H3

InChIKey

WUAIGAOSYROCOI-UHFFFAOYSA-N

Smiles

c1cc([N+]([O-])=O)ccc1S(=O)(=O)C1(C(=O)OC(C)C)CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 122.7 deg C   EXP
log P (octanol-water) 2.05 (none)   EXP
Water Solubility 17.2 mg/L 25 EXP
Vapor Pressure 7.15E-08 mm Hg 25 EST
Henry's Law Constant 1.60E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.55E-12 cm3/molecule-sec 25 EST

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