4-Carboxybenzeneacetic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 234–236 °C
- logP
- 1.01Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
501-89-3SMILES
O=C(O)Cc1ccc(C(=O)O)cc1InChIKey
DMEDOWYXHVUPMO-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c10-8(11)5-6-1-3-7(4-2-6)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
11 names
- Benzeneacetic acid, 4-carboxy-
- p-Toluic acid, α-carboxy-
- (p-Carboxyphenyl)acetic acid
- Homoterephthalic acid
- p-Carboxy-α-toluic acid
- p-(Carboxymethyl)benzoic acid
- 4-(Carboxymethyl)benzoic acid
- α-Carboxy-p-toluic acid
- 4-Carboxyphenylacetic acid
- NSC 2109
- p-Carboxyphenoxyacetic acid
Work with 4-Carboxybenzeneacetic acid
Similar compounds
1,4-Benzenediacetic acid7325-46-472 % similar
3-(4-Carboxyphenyl)propionic acid38628-51-270 % similar
Terephthalic acid100-21-060 % similar
4-Hydroxyphenylacetic acid156-38-760 % similar
4-(Hydroxymethyl)benzoic acid3006-96-060 % similar
4-(Hydroxymethyl)phenylacetic acid73401-74-860 % similar
4-Hydroxymethylbenzoic acid96937-45-060 % similar
Phenylacetic acid103-82-259 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.