4-Pyridin-3-yl-benzoic acid
Properties
- Molecular formula
- C12H9NO2
- Molar mass
- 199.21 g/mol
- Exact mass
- 199.0633 Da
- logP
- 2.45Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed66.7% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H332 Harmful if inhaled33.3% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4385-75-5SMILES
C1=CC(=CN=C1)C2=CC=C(C=C2)C(=O)OInChIKey
GYUKEVKPDRXPAB-UHFFFAOYSA-NInChI
InChI=1S/C12H9NO2/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11/h1-8H,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Pyridin-3-yl-benzoic acid
Similar compounds
2-(Pyridin-3-YL)pyrimidine-5-carboxylic acid933988-20-667 % similar
Niacin59-67-666 % similar
(1,1'-Biphenyl)-4-carboxylic acid92-92-265 % similar
[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-462 % similar
[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-262 % similar
[1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-256 % similar
4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-256 % similar
1,3,5-Tris(4-carboxyphenyl)benzene50446-44-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.