3,4-Flavandione
Basic information
- CAS
70460-60-5- Standard SMILES
O=C1C(=O)C(c2ccccc2)Oc2ccccc21- InChIKey
YTAQZPGBTPDBPW-UHFFFAOYSA-N- Molecular formula
- C15H10O3
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.06299418
Names & identifiers
- Preferred name
- 3,4-Flavandione
- IUPAC
- 2-phenylchromene-3,4-dione
Names & synonyms
3,4-Flavandione70460-60-52-Phenyl-2H-chromene-3,4-dione2-phenylchroman-3,4-dioneNSC102034NSC 1020342-phenylchromane-3,4-dione2-phenyl-3,4-dihydro-2H-1-benzopyran-3,4-dioneflavononeNCIOpen2_006998CHEMBL508267SCHEMBL8858887
Show more names
SCHEMBL29411755NSC-102034DS-004355
Database identifiers
- CAS
70460-60-5- PubChem CID
- 265703
- ChEMBL
CHEMBL508267
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…