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Substance Name: 3-(3,4-Dimethoxyphenyl)propenoic acid
RN: 2316-26-9
InChIKey: HJBWJAPEBGSQPR-XQRVVYSFSA-N

Molecular Formula

  • C11-H12-O4

Molecular Weight

  • 208.212
 
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Names and Synonyms

Name of Substance

  • 3-(3,4-Dimethoxyphenyl)propenoic acid

Synonyms

  • 3,4-Dimethoxyphenyl-2-propenoic acid
  • AI3-24427
  • Caffeic acid dimethyl ether
  • EINECS 219-025-5
  • NSC 4323
  • NSC 43569

Systematic Names

  • 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-
  • 3,4-Dimethoxycinnamic acid
  • Cinnamic acid, 3,4-dimethoxy- (8CI)

Registry Numbers

CAS Registry Number

  • 2316-26-9

System Generated Number

  • 0002316269

Structure Descriptors

InChI

1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4-

InChIKey

HJBWJAPEBGSQPR-XQRVVYSFSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 181-183 deg C   EXP
pKa Dissociation Constant 4.53 (none) 25 EXP
log P (octanol-water) 2.34 (none)   EXP
Water Solubility 989 mg/L 25 EST
Vapor Pressure 2.64E-05 mm Hg 25 EST
Henry's Law Constant 4.53E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.94E-11 cm3/molecule-sec 25 EST

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