[1,1'-Biphenyl]-2,6-dicarboxylic acid
Basic information
- CAS
4445-52-7- Standard SMILES
O=C(O)c1cccc(C(=O)O)c1-c1ccccc1- InChIKey
SGRVMTDADJLWDP-UHFFFAOYSA-N- Molecular formula
- C14H10O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.0579088
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-2,6-dicarboxylic acid
- IUPAC
- 2-phenylbenzene-1,3-dicarboxylic acid
Names & synonyms
[1,1'-Biphenyl]-2,6-dicarboxylic acid4445-52-7SCHEMBL70098DTXSID10497301
Database identifiers
- CAS
4445-52-7- PubChem CID
- 12416992
- DTXSID
DTXSID10497301- Nikkaji
- J802.787K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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