Gnetol

CAT: 0926-FG75813-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FG75813-01Size:25 mg

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CAS Number

86361-55-9

MDL Number

MFCD12405548

Smiles

C1=CC (=C (C (=C1) O) /C=C/C2=CC (=CC (=C2) O) O) O

Molecular Formula

C14H12O4

Molecular Weight

244.24 g/mol

Controlled

Chemical Information

2,3',5',6-Tetrahydroxy-trans-stilbene

gnetol has been reported in Gnetum montanum, Gnetum parvifolium, and other organisms with data available.

CAS Number	86361-55-9
PubChem CID	45382232
IUPAC Name	2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Molecular Formula	C14H12O4
Molecular Weight	244.24
XLogP	2.8
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	272

SMILES

C1=CC(=C(C(=C1)O)/C=C/C2=CC(=CC(=C2)O)O)O

InChI

InChI=1S/C14H12O4/c15-10-6-9(7-11(16)8-10)4-5-12-13(17)2-1-3-14(12)18/h1-8,15-18H/b5-4+

InChIKey

DQULNTWGBBNZSC-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 86361-55-9

CID: 45382232

Formula: C14H12O4

MW: 244.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.24
XLogP3	2.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	244.07355886
Monoisotopic Mass	244.07355886
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	272
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JDA87053-01	Gnetin D
CGA51123-01	Gnetin J