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Substance Name: Homophthalic acid
RN: 89-51-0
InChIKey: ZHQLTKAVLJKSKR-UHFFFAOYSA-N

Molecular Formula

  • C9-H8-O4

Molecular Weight

  • 180.1582
 
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Names and Synonyms

Name of Substance

  • Homophthalic acid

Synonyms

  • (2-Carboxyphenyl)acetic acid
  • (o-Carboxymethyl)benzoic acid
  • 2-Carboxybenzeneacetic acid
  • 4-09-00-03343 (Beilstein Handbook Reference)
  • alpha-Carboxy-o-toluic acid
  • BRN 1872069
  • EINECS 201-913-9
  • Homophthalic acid
  • NSC 15185
  • o-Toluic acid, alpha-carboxy-
  • Toluene-alpha,2-dicarboxylic acid

Systematic Names

  • (2-Carboxyphenyl)acetic acid
  • Benzeneacetic acid, 2-carboxy-
  • o-Toluic acid, alpha-carboxy- (8CI)

Registry Numbers

CAS Registry Number

  • 89-51-0

System Generated Number

  • 0000089510

Structure Descriptors

InChI

1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)

InChIKey

ZHQLTKAVLJKSKR-UHFFFAOYSA-N

Smiles

OC(=O)Cc1ccccc1C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 7, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.970 (none)   EST
Water Solubility 1.60E+04 mg/L 20 EXP
Atmospheric OH Rate Constant 2.94E-12 cm3/molecule-sec 25 EST

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