Basic information
- CAS
89971-00-6- Standard SMILES
O=c1cc(-c2ccccc2)oc2c(O)cc(O)c(O)c12- InChIKey
CCJWHJOLKDMGLU-UHFFFAOYSA-N- Molecular formula
- C15H10O5
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.05282342
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 5,6,8-trihydroxy-2-phenyl-
- IUPAC
- 5,6,8-trihydroxy-2-phenylchromen-4-one
Names & synonyms
5,6,8-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 5,6,8-trihydroxy-2-phenyl-89971-00-6DTXSID80237953
Database identifiers
- CAS
89971-00-6- PubChem CID
- 150294
- DTXSID
DTXSID80237953
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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