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Quinizarin 96% For Synthesis

CAT: 1507-02243 00100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1507-02243 00100Size:100 mg
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CAS Number
81-64-1

Chemical Information

Quinizarin

Quinizarin is a dihydroxyanthraquinone having the two hydroxy substituents at the 1- and 4-positions; formally derived from anthraquinone by replacement of two hydrogen atoms by hydroxy groups. It has a role as a dye.

CAS Number81-64-1
PubChem CID6688
IUPAC Name1,4-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=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChIKey
GUEIZVNYDFNHJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinizarin
CAS: 81-64-1
CID: 6688
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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02243 00100Quinizarin 96% For Synthesis
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