Gibellulin A

CAT: 0013-GTR19277969-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19277969-02Size:2 mg

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Description

Gibellulin A is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.

CAS Number

1853217-91-0

Smiles

CC1=CC2=C (OC3=C (O) C (O) =CC (C) =C3O2) C (O) =C1

Molecular Formula

C14H12O5

Molecular Weight

260.25

Notes

For research use only.

Chemical Information

Gibellulin A

Gibellulin A is a dibenzodioxine.

CAS Number	1853217-91-0
PubChem CID	122206292
IUPAC Name	4,7-dimethyldibenzo-p-dioxin-1,2,9-triol
Molecular Formula	C14H12O5
Molecular Weight	260.24
XLogP	2.7
Topological Polar Surface Area	79.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	336

SMILES

CC1=CC(=C2C(=C1)OC3=C(O2)C(=C(C=C3C)O)O)O

InChI

InChI=1S/C14H12O5/c1-6-3-9(16)13-10(4-6)18-12-7(2)5-8(15)11(17)14(12)19-13/h3-5,15-17H,1-2H3

InChIKey

SLUOGPAEXYFDPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1853217-91-0

CID: 122206292

Formula: C14H12O5

MW: 260.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.24
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	260.06847348
Monoisotopic Mass	260.06847348
Topological Polar Surface Area	79.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	336
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes