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Substance Name: Cyclohexanecarboxylic acid, 1-((4-nitrophenyl)sulfonyl)-, 1-methylethyl ester
RN: 160790-04-5
InChIKey: DUNHJGJBRJZBJD-UHFFFAOYSA-N

Molecular Formula

  • C16-H21-N-O6-S

Molecular Weight

  • 355.409
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 160790-04-5

System Generated Number

  • 0160790045

Structure Descriptors

InChI

1S/C16H21NO6S/c1-12(2)23-15(18)16(10-4-3-5-11-16)24(21,22)14-8-6-13(7-9-14)17(19)20/h6-9,12H,3-5,10-11H2,1-2H3

InChIKey

DUNHJGJBRJZBJD-UHFFFAOYSA-N

Smiles

S(C1(C(OC(C)C)=O)CCCCC1)(c1ccc([N+]([O-])=O)cc1)(=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 110.5 deg C   EXP
log P (octanol-water) 2.84 (none)   EXP
Water Solubility 4.69 mg/L 25 EXP
Vapor Pressure 5.12E-09 mm Hg 25 EST
Henry's Law Constant 3.75E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.06E-11 cm3/molecule-sec 25 EST

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