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Substance Name: Pentadeuteriobenzoic acid
RN: 1079-02-3
InChIKey: WPYMKLBDIGXBTP-RALIUCGRSA-N

Molecular Formula

  • C7-H-D5-O2

Molecular Weight

  • 127.1534
 
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Names and Synonyms

Name of Substance

  • Pentadeuteriobenzoic acid

Synonyms

  • Benzoic acid-d5
  • Benzoic-d5 acid
  • EINECS 214-089-0

Systematic Name

  • (2H5)Benzoic acid

Registry Numbers

CAS Registry Number

  • 1079-02-3

System Generated Number

  • 0001079023

Structure Descriptors

InChI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D

InChIKey

WPYMKLBDIGXBTP-RALIUCGRSA-N

Smiles

[2H]c1c([2H])c([2H])c(C(=O)O)c([2H])c1[2H]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.870 (none)   EST
Water Solubility 3400 mg/L 18 EXP
Atmospheric OH Rate Constant 1.24E-12 cm3/molecule-sec 25 EST

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