Homophthalic acid

C9H8O4CAS 89-51-0180.16 g/mol

OHOOOH
Carboxylic acid

Properties

Molecular formula
C9H8O4
Molar mass
180.16 g/mol
Exact mass
180.0423 Da
Melting point
175–177 °C
logP
1.01Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
89-51-0
SMILES
O=C(O)Cc1ccccc1C(=O)O
InChIKey
ZHQLTKAVLJKSKR-UHFFFAOYSA-N
InChI
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)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Benzeneacetic acid, 2-carboxy-
  • o-Toluic acid, α-carboxy-
  • 2-Carboxybenzeneacetic acid
  • α-Carboxy-o-toluic acid
  • Toluene-α,2-dicarboxylic acid
  • (2-Carboxyphenyl)acetic acid
  • (o-Carboxymethyl)benzoic acid
  • o-Carboxybenzeneacetic acid
  • NSC 149596
  • NSC 15185
  • NSC 401692
  • 2-Carboxymethylbenzoic acid

Reactions

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere