3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxylic acid
Properties
- Molecular formula
- C15H14O4
- Molar mass
- 258.27 g/mol
- Exact mass
- 258.0892 Da
- logP
- 3.07Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
676348-31-5SMILES
COc1ccc(-c2cccc(C(=O)O)c2)cc1OCInChIKey
ZDBOLXDKLAYRRK-UHFFFAOYSA-NInChI
InChI=1S/C15H14O4/c1-18-13-7-6-11(9-14(13)19-2)10-4-3-5-12(8-10)15(16)17/h3-9H,1-2H3,(H,16,17)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- [1,1′-Biphenyl]-3-carboxylic acid, 3′,4′-dimethoxy-
- 3′,4′-Dimethoxy-[1,1′-biphenyl]-3-carboxylic acid
- 3′,4′-Dimethoxybiphenyl-3-carboxylic acid
Work with 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxylic acid
Similar compounds
3'-Methoxy-biphenyl-3-carboxylic acid168618-45-974 % similar
4'-Methoxy-biphenyl-3-carboxylic acid725-05-372 % similar
Veratric acid93-07-269 % similar
2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-168 % similar
3'-Methoxy-biphenyl-4-carboxylic acid5783-36-863 % similar
4'-Methylbiphenyl-3-carboxylic acid147404-69-160 % similar
[1,1′-Biphenyl]-3-carboxylic acid716-76-759 % similar
3-Methoxybenzoic acid586-38-959 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.