5,3',4'-Trihydroxyflavone
Basic information
- CAS
19852-25-6- Standard SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2cccc(O)c12- InChIKey
KXPQYWKYYDYOCQ-UHFFFAOYSA-N- Molecular formula
- C15H10O5
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.05282342
Names & identifiers
- Preferred name
- 5,3',4'-Trihydroxyflavone
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
- English name
- 5,3',4'-Trihydroxyflavone
- Molecular formula
- C15H10O5
- Molecular weight
- 270.24
Names & synonyms
19852-25-65,3',4'-Trihydroxyflavone2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-oneDTXSID001736024H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-RefChem:100969DTXCID2096093KXPQYWKYYDYOCQ-UHFFFAOYSA-N2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one2-(3,4-Dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-oneMFCD00143393CHEMBL243677
Show more names
5,3',4'-Trihydroxy-2-phenyl-4H-chromen-4-one5-hydroxy-2-(3,4-dihydroxy-phenyl)-4H-chromen-4-one
5,3',4'-Trihydroxyflavone (>85%)3',4',5-trihydroxyflavoneTNP00056SCHEMBL3817277SCHEMBL30591245BDBM50445691AKOS016009370FT66519
Database identifiers
- CAS
19852-25-6- PubChem CID
- 88281
- DTXSID
DTXSID00173602- ChEMBL
CHEMBL243677- Nikkaji
- J1.581.950B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Experimental & physicochemical properties
LogP3.31
Physicochemical properties
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly)
- form
- Solid
- color
- Dark Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Compound notes
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