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Substance Name: o-Benzylbenzoic acid
RN: 612-35-1
UNII: XGQ9B53P0K
InChIKey: FESDHLLVLYZNFY-UHFFFAOYSA-N

Molecular Formula

  • C14-H12-O2

Molecular Weight

  • 212.247
 
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Names and Synonyms

Name of Substance

  • o-Benzylbenzoic acid

Synonyms

  • EINECS 210-305-2
  • UNII-XGQ9B53P0K

Systematic Name

  • o-Benzylbenzoic acid

Registry Numbers

CAS Registry Number

  • 612-35-1

FDA UNII

  • XGQ9B53P0K

System Generated Number

  • 0000612351

Structure Descriptors

InChI

1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)

InChIKey

FESDHLLVLYZNFY-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(O)=O)Cc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 118 deg C   EXP
log P (octanol-water) 3.550 (none)   EST
Atmospheric OH Rate Constant 8.09E-12 cm3/molecule-sec 25 EST

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