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Substance Name: 2-Cyanophenyl acetate
RN: 5715-02-6
InChIKey: XXLKCUTUGWSJJO-UHFFFAOYSA-N

Molecular Formula

  • C9-H7-N-O2

Molecular Weight

  • 161.159
 
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Names and Synonyms

Synonym

  • EINECS 227-210-7

Systematic Name

  • 2-Cyanophenyl acetate

Registry Numbers

CAS Registry Number

  • 5715-02-6

System Generated Number

  • 0005715026

Structure Descriptors

InChI

1S/C9H7NO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,1H3

InChIKey

XXLKCUTUGWSJJO-UHFFFAOYSA-N

Smiles

CC(=O)Oc1ccccc1C#N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.33 (none)   EXP
Water Solubility 2690 mg/L 25 EST
Vapor Pressure 5.21E-03 mm Hg 25 EST
Henry's Law Constant 6.26E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.97E-13 cm3/molecule-sec 25 EST

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