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1,3-Dihydroxyanthraquinone

CAT: 0024-sc-334228ASize: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-334228ASize:10 g
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CAS Number
518-83-2

Chemical Information

1,3-Dihydroxyanthraquinone

Xanthopurpurin is a dihydroxyanthraquinone. It has a role as a metabolite.

CAS Number518-83-2
PubChem CID196978
IUPAC Name1,3-dihydroxyanthracene-9,10-dione
Molecular FormulaC14H8O4
Molecular Weight240.21
XLogP3.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity378
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)O)O
InChI
InChI=1S/C14H8O4/c15-7-5-10-12(11(16)6-7)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,15-16H
InChIKey
WPWWKBNOXTZDQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dihydroxyanthraquinone
CAS: 518-83-2
CID: 196978
Formula: C14H8O4
MW: 240.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.21
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass240.04225873
Monoisotopic Mass240.04225873
Topological Polar Surface Area74.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity378
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

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