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Substance Name: Cyclopropanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, methyl ester
RN: 145348-26-1
InChIKey: JPEDHHGXVGENMN-UHFFFAOYSA-N

Molecular Formula

  • C11-H11-N-O6-S

Molecular Weight

  • 285.275
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 145348-26-1

System Generated Number

  • 0145348261

Structure Descriptors

InChI

1S/C11H11NO6S/c1-18-10(13)11(6-7-11)19(16,17)9-4-2-8(3-5-9)12(14)15/h2-5H,6-7H2,1H3

InChIKey

JPEDHHGXVGENMN-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 127 deg C   EXP
log P (octanol-water) 1.33 (none)   EXP
Water Solubility 119 mg/L 25 EXP
Vapor Pressure 2.18E-07 mm Hg 25 EST
Henry's Law Constant 9.11E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.26E-13 cm3/molecule-sec 25 EST

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