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3'-Hydroxyflavanone

CAT: 0926-FH67365-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FH67365-01Size:5 g
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CAS Number
92496-65-6
MDL Number
MFCD00017738
Smiles
O=C1C=2C=CC=CC2OC (C=3C=CC=C (O) C3) C1
Molecular Formula
C15H12O3
Molecular Weight
240.25 g/mol
Controlled
No

Chemical Information

3'-Hydroxyflavanone

3'-hydroxyflavanone is a monohydroxyflavanone in which the hydroxy group is located at position 3'. It has a role as a metabolite. It is a monohydroxyflavanone and a member of 3'-hydroxyflavanones.

CAS Number92496-65-6
PubChem CID3534982
IUPAC Name2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC15H12O3
Molecular Weight240.25
XLogP2.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity315
SMILES
C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)O
InChI
InChI=1S/C15H12O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-8,15-16H,9H2
InChIKey
JVSPTYZZNUXJHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Hydroxyflavanone
CAS: 92496-65-6
CID: 3534982
Formula: C15H12O3
MW: 240.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.25
XLogP32.5
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
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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