4'-Methylbiphenyl-3-carboxylic acid
Properties
- Molecular formula
- C14H12O2
- Molar mass
- 212.25 g/mol
- Exact mass
- 212.0837 Da
- logP
- 3.36Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed90.9% of notifiers
- H315 Causes skin irritation11.4% of notifiers
- H319 Causes serious eye irritation11.4% of notifiers
- H335 May cause respiratory irritation11.4% of notifiers
- H411 Toxic to aquatic life with long lasting effects86.4% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
147404-69-1SMILES
CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OInChIKey
APYJGQZXCGXMGB-UHFFFAOYSA-NInChI
InChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4'-Methyl-biphenyl-3-carboxylic acid
Work with 4'-Methylbiphenyl-3-carboxylic acid
Similar compounds
3'-Methyl-biphenyl-3-carboxylic acid158619-46-679 % similar
[1,1′-Biphenyl]-3-carboxylic acid716-76-772 % similar
4'-Methyl-4-biphenylcarboxylic acid720-73-069 % similar
4'-Chloro-biphenyl-3-carboxylic acid4655-10-169 % similar
4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-367 % similar
m-Toluic acid99-04-767 % similar
4'-Methoxy-biphenyl-3-carboxylic acid725-05-366 % similar
4'-Trifluoromethyl-biphenyl-3-carboxylic acid199528-28-462 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.