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Substance Name: 3-Phenoxypropiononitrile
RN: 3055-86-5
InChIKey: IXAUFLAHUXISCH-UHFFFAOYSA-N

Molecular Formula

  • C9-H9-N-O

Molecular Weight

  • 147.176
 
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Names and Synonyms

Synonym

  • EINECS 221-278-1

Systematic Name

  • 3-Phenoxypropiononitrile

Registry Numbers

CAS Registry Number

  • 3055-86-5

System Generated Number

  • 0003055865

Structure Descriptors

InChI

1S/C9H9NO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2

InChIKey

IXAUFLAHUXISCH-UHFFFAOYSA-N

Smiles

C(Oc1ccccc1)CC#N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.61 (none)   EXP
Water Solubility 1790 mg/L 25 EST
Vapor Pressure 9.31E-03 mm Hg 25 EST
Henry's Law Constant 1.76E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.28E-11 cm3/molecule-sec 25 EST

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