Basic information
- CAS
7497-77-0- Standard SMILES
O=C(COC(=O)c1cc(O)c(O)c(O)c1)c1ccc(-c2ccccc2)cc1- InChIKey
ZAOXERVEFZACND-UHFFFAOYSA-N- Molecular formula
- C21H16O6
- Average molar mass
- 364.3 g/mol
- Monoisotopic mass
- 364.09468823
Names & identifiers
- Preferred name
- [2-Oxo-2-(4-phenylphenyl)ethyl] 3,4,5-trihydroxybenzoate
- IUPAC
- [2-oxo-2-(4-phenylphenyl)ethyl] 3,4,5-trihydroxybenzoate
Names & synonyms
7497-77-0[2-oxo-2-(4-phenylphenyl)ethyl] 3,4,5-trihydroxybenzoateNSC406820DTXSID60324476NSC-4068202-([1,1'-Biphenyl]-4-yl)-2-oxoethyl 3,4,5-trihydroxybenzoate
Database identifiers
- CAS
7497-77-0- PubChem CID
- 347906
- DTXSID
DTXSID60324476
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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