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Substance Name: 4-Methoxycinnamic acid
RN: 830-09-1
UNII: 6G4ML8401A
InChIKey: AFDXODALSZRGIH-QPJJXVBHSA-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

  • 4-Methoxycinnamic acid

Synonyms

  • 3-(4-Methoxyphenyl)-2-propenoic acid
  • 4-Methoxycinnamic acid
  • AI3-23399
  • Cinnamic acid, 4-methoxy-
  • Cinnamic acid, p-methoxy-
  • EINECS 212-594-0
  • METHOXYCINNAMIC ACID, PARA
  • NSC 5303
  • p-Methoxycinnamic acid
  • UNII-6G4ML8401A

Systematic Names

  • 2-Propenoic acid, 3-(4-methoxyphenyl)-
  • trans-4-Methoxycinnamic acid

Registry Numbers

CAS Registry Number

  • 830-09-1

FDA UNII

  • 6G4ML8401A

Related Registry Number

  • 7340-42-3 (hydrochloride salt)

System Generated Number

  • 0000830091

Structure Descriptors

InChI

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

InChIKey

AFDXODALSZRGIH-QPJJXVBHSA-N

Smiles

COc1ccc(\C=C\C(=O)O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1300mg/kg (1300mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: REGIDITY

BEHAVIORAL: ATAXIA
Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 77, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 4.54 (none) 25 EXP
log P (octanol-water) 2.68 (none)   EXP
Water Solubility 712 mg/L 25 EXP
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.