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Substance Name: Cyclobutanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester
RN: 160790-03-4
InChIKey: XWDINLQQGHPOQQ-UHFFFAOYSA-N

Molecular Formula

  • C14-H17-N-O6-S

Molecular Weight

  • 327.355
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 160790-03-4

System Generated Number

  • 0160790034

Structure Descriptors

InChI

1S/C14H17NO6S/c1-10(2)21-13(16)14(8-3-9-14)22(19,20)12-6-4-11(5-7-12)15(17)18/h4-7,10H,3,8-9H2,1-2H3

InChIKey

XWDINLQQGHPOQQ-UHFFFAOYSA-N

Smiles

S(C1(C(OC(C)C)=O)CCC1)(c1ccc([N+]([O-])=O)cc1)(=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 65.5 deg C   EXP
log P (octanol-water) 2.36 (none)   EXP
Water Solubility 56.9 mg/L 25 EXP
Vapor Pressure 2.98E-08 mm Hg 25 EST
Henry's Law Constant 2.13E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.68E-12 cm3/molecule-sec 25 EST

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