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3-Hydroxy-2-Phenylchroman-4-One

CAT: 0127-OR1026640-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1026640-01Size:100 mg
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CAS Number
1621-55-2
Synonyms
3-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
Purity
98%
Smiles
C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)O

Chemical Information

2,3-Dihydroflavon-3-ol

Dihydroflavonols is any hydroxyflavanone in which a hydroxy group is present at position 3 of the heterocyclic ring. It is functionally related to a flavonol.

CAS Number1621-55-2
PubChem CID147806
IUPAC Name3-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular FormulaC15H12O3
Molecular Weight240.25
XLogP2.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity309
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)O
InChI
InChI=1S/C15H12O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,14-15,17H
InChIKey
YEDFEBOUHSBQBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydroflavon-3-ol
CAS: 1621-55-2
CID: 147806
Formula: C15H12O3
MW: 240.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.25
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass240.078644241
Monoisotopic Mass240.078644241
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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