(+/-) -Epicatechin

CAT: 0926-FE66119-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FE66119-05Size:25 mg

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CAS Number

17334-50-8

MDL Number

MFCD00066757

Smiles

C1C (C (OC2=CC (=CC (=C21) O) O) C3=CC (=C (C=C3) O) O) O

Molecular Formula

C15H14O6

Molecular Weight

290.27 g/mol

Controlled

Chemical Information

2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

Catechin is members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.

CAS Number	17334-50-8
PubChem CID	1203
IUPAC Name	2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Formula	C15H14O6
Molecular Weight	290.27
XLogP	0.4
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	364

SMILES

C1C(C(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

InChIKey

PFTAWBLQPZVEMU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17334-50-8

CID: 1203

Formula: C15H14O6

MW: 290.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.27
XLogP3	0.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	290.07903816
Monoisotopic Mass	290.07903816
Topological Polar Surface Area	110 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes