2'-Methoxy-biphenyl-4-carboxylic acid
Properties
- Molecular formula
- C14H12O3
- Molar mass
- 228.25 g/mol
- Exact mass
- 228.0786 Da
- logP
- 3.06Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed33.3% 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
5728-32-5SMILES
COC1=CC=CC=C1C2=CC=C(C=C2)C(=O)OInChIKey
YQLGXBYAHYGABI-UHFFFAOYSA-NInChI
InChI=1S/C14H12O3/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9H,1H3,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2'-Methoxy-biphenyl-4-carboxylic acid
Similar compounds
3′,4′-Dimethoxy[1,1′-biphenyl]-4-carboxylic acid122294-10-462 % similar
4'-Methoxy(1,1'-biphenyl)-4-carboxylic acid725-14-459 % similar
2-Methoxybenzoic acid529-75-957 % similar
o-Anisic acid579-75-957 % similar
2'-Fluorobiphenyl-4-carboxylic acid365-12-856 % similar
2'-Chloro-biphenyl-4-carboxylic acid3808-93-356 % similar
2-Methoxybiphenyl86-26-056 % similar
p-Anisic acid100-09-456 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.