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Substance Name: Vaccenic acid
RN: 693-72-1
UNII: GQ72OGU4EV
InChIKey: UWHZIFQPPBDJPM-BQYQJAHWSA-N

Note

  • Vaccenic acid is the (E)-isomer.

Molecular Formula

  • C18-H34-O2

Molecular Weight

  • 282.4646
 
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Names and Synonyms

Name of Substance

  • Vaccenic acid

Synonyms

  • AI3-36458
  • EINECS 211-758-9
  • UNII-GQ72OGU4EV

Systematic Names

  • (E)-Octadec-11-enoic acid
  • 11-Octadecenoic acid, (E)-

Registry Numbers

CAS Registry Number

  • 693-72-1

FDA UNII

  • GQ72OGU4EV

System Generated Number

  • 0000693721

Structure Descriptors

InChI

1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+

InChIKey

UWHZIFQPPBDJPM-BQYQJAHWSA-N

Smiles

CCCCCC/C=C/CCCCCCCCCC(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 44 deg C   EXP
log P (octanol-water) 7.730 (none)   EST
Atmospheric OH Rate Constant 7.55E-11 cm3/molecule-sec 25 EST

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