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Substance Name: Piperic acid
RN: 5285-18-7
InChIKey: RHBGITBPARBDPH-PBIXIIOPSA-N

Molecular Formula

  • C12-H10-O4

Molecular Weight

  • 218.207
 
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Names and Synonyms

Name of Substance

  • Piperic acid

Synonyms

  • AI3-41572
  • EINECS 226-118-4
  • NSC 129538
  • Piperonic acid

Systematic Names

  • 2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)- (9CI)
  • 5-(1,3-Benzodioxol-5-yl)penta-2,4-dienoic acid
  • Piperic acid (8CI)

Registry Numbers

CAS Registry Number

  • 5285-18-7

System Generated Number

  • 0005285187

Structure Descriptors

InChI

1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1-,4-2?

InChIKey

RHBGITBPARBDPH-PBIXIIOPSA-N

Smiles

c12c(OCO1)ccc(\C=C/C=C/C(O)=O)c2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 215 deg C   EXP
log P (octanol-water) 2.900 (none)   EST
Atmospheric OH Rate Constant 6.99E-11 cm3/molecule-sec 25 EST

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