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Substance Name: o-Nitrocumene
RN: 6526-72-3
InChIKey: BSMKYQUHXQAVKG-UHFFFAOYSA-N

Molecular Formula

  • C9-H11-N-O2

Molecular Weight

  • 165.191
 
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Names and Synonyms

Synonym

  • EINECS 229-415-7

Systematic Name

  • o-Nitrocumene

Registry Numbers

CAS Registry Number

  • 6526-72-3

System Generated Number

  • 0006526723

Structure Descriptors

InChI

1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3

InChIKey

BSMKYQUHXQAVKG-UHFFFAOYSA-N

Smiles

[N+](=O)([O-])c1c(C(C)C)cccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.34 (none)   EXP
Water Solubility 37.1 mg/L 25 EST
Vapor Pressure 0.015 mm Hg 25 EST
Henry's Law Constant 4.13E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.85E-12 cm3/molecule-sec 25 EST

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