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Substance Name: 2-Methoxycinnamic acid, (Z)-
RN: 14737-91-8
UNII: NOK9MP1NGJ
InChIKey: FEGVSPGUHMGGBO-SREVYHEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-O3

Molecular Weight

  • 178.186
 
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Names and Synonyms

Name of Substance

  • 2-Methoxycinnamic acid, (Z)-

Synonyms

  • (Z)-3-(2-Methoxyphenyl)-2-propenoic acid
  • 4-10-00-00999 (Beilstein Handbook Reference)
  • Acide ortho-methoxycinnamique
  • Acide ortho-methoxycinnamique [French]
  • BRN 2209713
  • cis-2-Methoxycinnamic acid
  • cis-o-Methoxycinnamic acid
  • EINECS 238-803-5
  • Substance H 36
  • UNII-NOK9MP1NGJ

Systematic Names

  • (Z)-o-Methoxycinnamic acid
  • 2-Propenoic acid, 3-(2-methoxyphenyl)-, (Z)- (9CI)
  • Cinnamic acid, o-methoxy-, (Z)-

Registry Numbers

CAS Registry Number

  • 14737-91-8

FDA UNII

  • NOK9MP1NGJ

System Generated Number

  • 0014737918

Structure Descriptors

InChI

1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6-

InChIKey

FEGVSPGUHMGGBO-SREVYHEPSA-N

Smiles

c1(c(cccc1)OC)\C=C/C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 119, Pg. 443, 1959.
mouse LD50 oral 1750mg/kg (1750mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 119, Pg. 443, 1959.
mouse LD50 subcutaneous 1100mg/kg (1100mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 119, Pg. 443, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 94-96 deg C   EXP
pKa Dissociation Constant 4.46 (none) 25 EXP
log P (octanol-water) 1.81 (none)   EXP
Water Solubility 3970 mg/L 25 EST
Vapor Pressure 1.59E-04 mm Hg 25 EST
Henry's Law Constant 7.65E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.13E-11 cm3/molecule-sec 25 EST

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