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Substance Name: Benz(d)isoxazole
RN: 271-95-4
InChIKey: KTZQTRPPVKQPFO-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-N-O

Molecular Weight

  • 119.122
 
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Names and Synonyms

Synonym

  • EINECS 205-983-1

Systematic Name

  • Benz(d)isoxazole

Registry Numbers

CAS Registry Number

  • 271-95-4

System Generated Number

  • 0000271954

Structure Descriptors

InChI

1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H

InChIKey

KTZQTRPPVKQPFO-UHFFFAOYSA-N

Smiles

c1ccc2cnoc2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.63 (none)   EXP
Water Solubility 4100 mg/L 25 EST
Vapor Pressure 0.247 mm Hg 25 EST
Henry's Law Constant 5.54E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.00E-12 cm3/molecule-sec 25 EST

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