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Substance Name: Difunone
RN: 7703-36-8
InChIKey: GWZYSXKZOOVIDP-UHFFFAOYSA-N

Molecular Formula

  • C14-H12-N2-O2

Molecular Weight

  • 240.261
 
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Names and Synonyms

Name of Substance

  • Difunone

Synonym

  • Emd-IT 5914

Systematic Name

  • 5-Dimethylaminomethylene-2-oxo-4-phenyl-2,5-dihydrofuran-3-carbonitrile

Registry Numbers

CAS Registry Number

  • 7703-36-8

System Generated Number

  • 0007703368

Structure Descriptors

InChI

1S/C14H12N2O2/c1-16(2)9-12-13(10-6-4-3-5-7-10)11(8-15)14(17)18-12/h3-7,9H,1-2H3

InChIKey

GWZYSXKZOOVIDP-UHFFFAOYSA-N

Smiles

c1ccccc1C1=C(C#N)C(=O)O\C1=C/N(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.07 (none)   EXP
Water Solubility 1.81E+04 mg/L 25 EST
Vapor Pressure 1.86E-07 mm Hg 25 EST
Henry's Law Constant 3.18E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.99E-11 cm3/molecule-sec 25 EST

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