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Substance Name: 3,4-Methylenedioxycinnamic acid
RN: 2373-80-0
InChIKey: QFQYZMGOKIROEC-RQOWECAXSA-N

Molecular Formula

  • C10-H8-O4

Molecular Weight

  • 192.169
 
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Names and Synonyms

Synonyms

  • AI3-03747
  • EINECS 219-151-0

Systematic Names

  • 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-
  • trans-3,4-(Methylenedioxy)cinnamic acid

Registry Numbers

CAS Registry Number

  • 2373-80-0

System Generated Number

  • 0002373800

Structure Descriptors

InChI

1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2-

InChIKey

QFQYZMGOKIROEC-RQOWECAXSA-N

Smiles

c12c(ccc(c1)\C=C/C(O)=O)OCO2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 243 dec deg C   EXP
log P (octanol-water) 2.59 (none)   EXP
Water Solubility 27 mg/L 25 EXP
Vapor Pressure 2.48E-05 mm Hg 25 EST
Henry's Law Constant 1.50E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.99E-11 cm3/molecule-sec 25 EST

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