Homophthalic 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
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation87.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
89-51-0SMILES
O=C(O)Cc1ccccc1C(=O)OInChIKey
ZHQLTKAVLJKSKR-UHFFFAOYSA-NInChI
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)Weigh it out
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
Work with Homophthalic acid
Similar compounds
1,2-Benzenediacetic acid7500-53-068 % similar
2-Ethylbenzoic acid612-19-161 % similar
2-(Bromomethyl)benzoic acid7115-89-161 % similar
2-(Bromomethyl)benzoic acid786593-22-461 % similar
2-(Chloromethyl)benzoic acid85888-81-961 % similar
2-(Carboxymethyl)-5-fluorobenzoic acid583880-95-959 % similar
2-(2-Phenylethyl)benzoic acid4890-85-159 % similar
2-Bromophenylacetic acid18698-97-058 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.