Basic information
- CAS
70460-34-3- Standard SMILES
O=c1c(O)c(-c2c(O)cccc2O)oc2ccccc12- InChIKey
OZTLYESAHCAEDG-UHFFFAOYSA-N- Molecular formula
- C15H10O5
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.05282342
Names & identifiers
- Preferred name
- 2-(2,6-dihydroxyphenyl)-3-hydroxy-4H-chromen-4-one
- IUPAC
- 2-(2,6-dihydroxyphenyl)-3-hydroxychromen-4-one
Names & synonyms
2-(2,6-dihydroxyphenyl)-3-hydroxy-4H-chromen-4-one70460-34-3NSC-78633NSC78633CHEMBL485452DTXSID502918404H-1-Benzopyran-4-one,2-(2,6-dihydroxyphenyl)-3-hydroxy-DS-0150392-(2,6-Dihydroxyphenyl)-3-hydroxy-4H-1-benzopyran-4-one
Database identifiers
- CAS
70460-34-3- PubChem CID
- 254342
- DTXSID
DTXSID50291840- ChEMBL
CHEMBL485452
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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