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Substance Name: 2-Furanacrylic acid, alpha-cyano-, methyl ester
RN: 3695-86-1
InChIKey: KRGNLCAXPGOHQH-FNORWQNLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H7-N-O3

Molecular Weight

  • 177.158
 
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Names and Synonyms

Synonyms

  • 2-Propenoic acid, 2-cyano-3-(2-furanyl)-, methyl ester
  • 3-(2-Furyl)-2-methoxycarbonylacrylonirile
  • alpha-Cyano-2-furanacrylic acid methyl ester
  • CCRIS 5658
  • F 2381
  • Furfural-cyanessigsaeure-methyl-ester
  • Furfural-cyanessigsaeure-methyl-ester [German]
  • Methyl 2-furalcyanoacetate
  • NSC 338523

Systematic Names

  • 2-Furanacrylic acid, alpha-cyano-, methyl ester
  • alpha-Cyano-2-furanacrylic acid, methyl ester

Registry Numbers

CAS Registry Number

  • 3695-86-1

System Generated Number

  • 0003695861

Structure Descriptors

InChI

1S/C9H7NO3/c1-12-9(11)7(6-10)5-8-3-2-4-13-8/h2-5H,1H3/b7-5+

InChIKey

KRGNLCAXPGOHQH-FNORWQNLSA-N

Smiles

C(=C\c1ccco1)(\C(OC)=O)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 100mg/kg (100mg/kg)   Biochemical Pharmacology. Vol. 14, Pg. 1325, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.65 (none)   EXP
Water Solubility 1200 mg/L 25 EST
Vapor Pressure 1.61E-03 mm Hg 25 EST
Henry's Law Constant 9.21E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.32E-11 cm3/molecule-sec 25 EST

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