Basic information
- CAS
925908-89-0- Standard SMILES
COc1ccc(-c2cc(C(=O)O)ccc2C)cc1OC- InChIKey
CHIDWCRRNOTDHM-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- 3',4'-Dimethoxy-6-methyl[1,1'-biphenyl]-3-carboxylic acid
- IUPAC
- 3-(3,4-dimethoxyphenyl)-4-methylbenzoic acid
Names & synonyms
3',4'-Dimethoxy-6-methyl[1,1'-biphenyl]-3-carboxylic acidDTXSID601196763AKOS017565743925908-89-03a(2),4a(2)-Dimethoxy-6-methyl[1,1a(2)-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
925908-89-0- PubChem CID
- 39233003
- DTXSID
DTXSID601196763
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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