2,3-Dimethylbenzoic acid
Properties
- Molecular formula
- C9H10O2
- Molar mass
- 150.18 g/mol
- Exact mass
- 150.0681 Da
- Melting point
- 143–144 °C
- logP
- 2.00Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
603-79-2SMILES
Cc1cccc(C(=O)O)c1CInChIKey
RIZUCYSQUWMQLX-UHFFFAOYSA-NInChI
InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzoic acid, 2,3-dimethyl-
- Hemellitic acid
- NSC 407533
Work with 2,3-Dimethylbenzoic acid
Similar compounds
o-Toluic acid118-90-169 % similar
Mefenamic acid61-68-767 % similar
2-Iodo-3-methylbenzoic acid108078-14-466 % similar
2-Chloro-3-methylbenzoic acid15068-35-666 % similar
3-Amino-2-methylbenzoic acid52130-17-366 % similar
3-Hydroxy-2-methylbenzoic acid603-80-566 % similar
3-Chloro-2-methylbenzoic acid7499-08-366 % similar
3-Bromo-2-methylbenzoic acid76006-33-266 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.