2-Phenoxybenzoic acid
Properties
- Molecular formula
- C13H10O3
- Molar mass
- 214.22 g/mol
- Exact mass
- 214.0630 Da
- Melting point
- 113 °C
- Boiling point
- 355 °C
- logP
- 3.18Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
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
2243-42-7SMILES
O=C(O)c1ccccc1Oc1ccccc1InChIKey
PKRSYEPBQPFNRB-UHFFFAOYSA-NInChI
InChI=1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 2-phenoxy-
- Benzoic acid, o-phenoxy-
- o-Phenoxybenzoic acid
- NSC 39656
- 2-(Phenyloxy)benzoic acid
- 2-PBA
Work with 2-Phenoxybenzoic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methoxybenzoic acid529-75-961 % similar
o-Anisic acid579-75-961 % similar
2-Phenoxynicotinic acid35620-71-459 % similar
2-(Benzyloxy)benzoic acid14389-86-758 % similar
Phthalic acid88-99-357 % similar
2-Ethoxybenzoic acid134-11-256 % similar
2-(Trifluoromethoxy)benzoic acid150436-84-356 % similar
2-(Trifluoromethoxy)benzoic acid1979-29-956 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.