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(R) -Hesperetin

CAT: 1596-AR-H07494-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H07494-01Size:10 Units
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CAS Number
24604-97-5
Synonyms
(R) -5,7-dihydroxy-2- (3-hydroxy-4-methoxyphenyl) chroman-4-one
Molecular Formula
C16H14O6
Molecular Weight
302.28
API Name
Hesperetin

Chemical Information

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one is an ether and a member of flavonoids.

CAS Number24604-97-5
PubChem CID676152
IUPAC Name(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular FormulaC16H14O6
Molecular Weight302.28
XLogP2.4
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity413
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m1/s1
InChIKey
AIONOLUJZLIMTK-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one
CAS: 24604-97-5
CID: 676152
Formula: C16H14O6
MW: 302.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.28
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass302.07903816
Monoisotopic Mass302.07903816
Topological Polar Surface Area96.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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