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Substance Name: 2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester
RN: 2025-40-3
InChIKey: KCDAMWRCUXGACP-DHZHZOJOSA-N

Molecular Formula

  • C12-H11-N-O2

Molecular Weight

  • 201.224
 
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Names and Synonyms

Synonyms

  • 2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester
  • AI3-10525
  • Cinnamic acid, alpha-cyano-, ethyl ester
  • EINECS 217-972-9
  • Ethyl alpha-cyano-beta-phenylcinnamate
  • Ethyl benzylidenecyanoacetate
  • NSC 8904

Systematic Names

  • 2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester
  • Ethyl 2-cyanocinnamate

Registry Numbers

CAS Registry Number

  • 2025-40-3

Other Registry Number

  • 756509-63-4

System Generated Number

  • 0002025403

Structure Descriptors

InChI

1S/C12H11NO2/c1-2-15-12(14)11(9-13)8-10-6-4-3-5-7-10/h3-8H,2H2,1H3/b11-8+

InChIKey

KCDAMWRCUXGACP-DHZHZOJOSA-N

Smiles

O=C(OCC)\C(C#N)=C\c1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51 deg C   EXP
log P (octanol-water) 2.43 (none)   EXP
Water Solubility 197 mg/L 25 EST
Vapor Pressure 1.53E-04 mm Hg 25 EST
Henry's Law Constant 1.23E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.36E-12 cm3/molecule-sec 25 EST

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