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Substance Name: p-Coumaric acid
RN: 7400-08-0
InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N

Note

  • Reproductive inhibitor in male rat.

Molecular Formula

  • C9-H8-O3

Molecular Weight

  • 164.1592
 

Classification Codes

  • Anti-Infective Agents
  • Antioxidants
  • Contraceptive Agents
  • Contraceptive Agents, Male
  • Drug / Therapeutic Agent
  • Free Radical Scavengers
  • Protective Agents
  • Reproductive Control Agents
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • 4-Coumaric acid
  • p-Coumaric acid

Synonyms

  • 3-(4-Hydroxyphenyl)-2-propenoic acid
  • 4-10-00-01005 (Beilstein Handbook Reference)
  • 4-Coumaric acid
  • 4-Hydroxycinnamic acid
  • beta-(4-Hydroxyphenyl)acrylic acid
  • BRN 2207383
  • EINECS 231-000-0
  • Hydroxycinnamic acid
  • NSC 59260
  • p-Coumaric acid
  • p-Cumaric acid
  • p-Hydroxycinnamic acid
  • p-Hydroxyphenylacrylic acid

Systematic Names

  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-
  • 4-Hydroxycinnamic acid
  • Cinnamic acid, p-hydroxy-

Registry Numbers

CAS Registry Number

  • 7400-08-0

System Generated Number

  • 0007400080

Structure Descriptors

InChI

1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+

InChIKey

NGSWKAQJJWESNS-ZZXKWVIFSA-N

Smiles

c1(ccc(O)cc1)\C=C\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 657mg/kg (657mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 211.5 deg C   EXP
pKa Dissociation Constant 4.64 (none) 25 EXP
log P (octanol-water) 1.79 (none)   EXP
Water Solubility 1.83E+04 mg/L 25 EST
Vapor Pressure 1.61E-05 mm Hg 25 EST
Henry's Law Constant 1.35E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.17E-11 cm3/molecule-sec 25 EST

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