6,3',4'-Trihydroxyflavone
Basic information
- CAS
263407-43-8- Standard SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2ccc(O)cc12- InChIKey
BYVNWEGWXASECK-UHFFFAOYSA-N- Molecular formula
- C15H10O5
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.05282342
Names & identifiers
- Preferred name
- 6,3',4'-Trihydroxyflavone
- IUPAC
- 2-(3,4-dihydroxyphenyl)-6-hydroxychromen-4-one
- English name
- 2-(3,4-dihydroxyphenyl)-6-hydroxy-4H-chromen-4-one
- Molecular formula
- C15H10O5
- Molecular weight
- 270.24
Names & synonyms
6,3',4'-Trihydroxyflavone263407-43-82-(3,4-dihydroxyphenyl)-6-hydroxychromen-4-one4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-hydroxy-DTXSID30350949RefChem:103729DTXCID00302016BYVNWEGWXASECK-UHFFFAOYSA-N2-(3,4-dihydroxyphenyl)-6-hydroxy-4H-chromen-4-oneOprea1_007333SCHEMBL491032CHEMBL1224323
Show more names
SCHEMBL29664594SCHEMBL30591365MFCD00143487AKOS024283044DA-07554ST0596182-(3,4-Dihydroxyphenyl)-6-hydroxy-4H-1-benzopyran-4-one
Database identifiers
- CAS
263407-43-8- PubChem CID
- 688684
- DTXSID
DTXSID30350949- ChEMBL
CHEMBL1224323- Nikkaji
- J3.169.363B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Boiling point
- 572.8 · 572.8±50.0 °C(Predicted)
- Density
- 1.548 · 1.548±0.06 g/cm3(Predicted)
- pka
- 8.98 · 8.98±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
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Related reactions
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Compound notes
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