4-Hydroxyflavanone

CAT: 0127-BUP11290-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11290-01Size:10 mg

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CAS Number

6515-37-3

Purity

=95%

Smiles

Oc1ccc(cc1)C1CC(=O)c2ccccc2O1

Chemical Information

4'-Hydroxyflavanone

4'-hydroxyflavanone is a member of 4'-hydroxyflavanones and a monohydroxyflavanone.

CAS Number	6515-37-3
PubChem CID	165506
IUPAC Name	2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Molecular Formula	C15H12O3
Molecular Weight	240.25
XLogP	2.8
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	307

SMILES

C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2

InChIKey

ZLHVIYHWWQYJID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6515-37-3

CID: 165506

Formula: C15H12O3

MW: 240.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.25
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	240.078644241
Monoisotopic Mass	240.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	307
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes