4,5,7-trihydroxyflavone

4,5,7-trihydroxyflavone
Compound Structure:
Synonyms: 4,5,7-trihydroxyflavanone;SCHEMBL1068877
Compound ID: NMPC-405
PubChem ID:

17873337
Molecular Formula: C15H12O5
Canonical SMILES: C1=CC=C(C=C1)C2C(=O)C(C3=C(C=C(C=C3O2)O)O)O
InChIKey: IJVBAVVYMVTACT-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

272.25 g/mol

XLogP3-AA

1.8

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

1

Exact Mass

272.06847348 g/mol

Monoisotopic Mass

272.06847348 g/mol

Topological Polar Surface Area

87Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

365

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Bryophyllum pinnatum
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