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Purpurogallin

CAT: 0607-BA8398-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8398-50Size:50 mg
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CAS Number
569-77-7
Form
A solid
Molecular Formula
C11H8O5
Molecular Weight
220.18
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Purpurogallin

Purpurogallin is a cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6. It has a role as an antioxidant, an antibacterial agent, an EC 1.17.3.2 (xanthine oxidase) inhibitor and a protective agent. It is a tetrol, a member of phenols and a cyclic ketone. It derives from a hydride of a 5H-benzocycloheptene.

CAS Number569-77-7
PubChem CID135403797
IUPAC Name2,3,4,6-tetrahydroxybenzo[7]annulen-5-one
Molecular FormulaC11H8O5
Molecular Weight220.18
XLogP2.1
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity359
SMILES
C1=CC2=CC(=C(C(=C2C(=O)C(=C1)O)O)O)O
InChI
InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
InChIKey
WDGFFVCWBZVLCE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Purpurogallin
CAS: 569-77-7
CID: 135403797
Formula: C11H8O5
MW: 220.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.18
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass220.03717335
Monoisotopic Mass220.03717335
Topological Polar Surface Area98 Ų
Heavy Atom Count16
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-12136-01Purpurogallin
HY-12136R-01Purpurogallin (Standard)
GTR19205051-01Purpurogallin carboxylic acid
TRC-H953972-100MG2,3,6-Trideuteromethyl Purpurogallin

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