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1,5-Dihydroxyanthraquinone

CAT: 0926-FD40719-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FD40719-01Size:100 g
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CAS Number
117-12-4
MDL Number
MFCD00001210
Smiles
C1=CC2=C (C (=C1) O) C (=O) C3=C (C2=O) C (=CC=C3) O
Molecular Formula
C14H8O4
Molecular Weight
240.21 g/mol
Controlled
No

Chemical Information

Anthrarufin

Anthrarufin is a dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5. It derives from a hydride of an anthracene.

CAS Number117-12-4
PubChem CID8328
IUPAC Name1,5-dihydroxyanthracene-9,10-dione
Molecular FormulaC14H8O4
Molecular Weight240.21
XLogP3.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity342
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
InChIKey
JPICKYUTICNNNJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anthrarufin
CAS: 117-12-4
CID: 8328
Formula: C14H8O4
MW: 240.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.21
XLogP33.7
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
Complexity342
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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