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Catechin 1g

CAT: 0628-A12029-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A12029-1000Size:1000 mg
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CAS Number
154-23-4

Chemical Information

Catechin

(+)-catechin is the (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. It has a role as an antioxidant and a plant metabolite. It is an enantiomer of a (-)-catechin.

CAS Number154-23-4
PubChem CID9064
IUPAC Name(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular FormulaC15H14O6
Molecular Weight290.27
XLogP0.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity364
SMILES
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
InChIKey
PFTAWBLQPZVEMU-DZGCQCFKSA-N
Chemical Structure
2D Structure
2D structure of Catechin
CAS: 154-23-4
CID: 9064
Formula: C15H14O6
MW: 290.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight290.27
XLogP30.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass290.07903816
Monoisotopic Mass290.07903816
Topological Polar Surface Area110 Ų
Heavy Atom Count21
Formal Charge0
Complexity364
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes