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Acenaphthenequinone

CAT: 0127-OR322345-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR322345-01Size:5 g
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CAS Number
82-86-0
MDL Number
MFCD00003805
Purity
98%
Smiles
O=C1C(=O)c2cccc3cccc1c23

Chemical Information

Acenaphthenequinone

Acenaphthoquinone is an orthoquinone that is the 1,2-dioxo derivative of acenaphthene. It has a role as an epitope and a chain carrier. It derives from a hydride of an acenaphthene.

CAS Number82-86-0
PubChem CID6724
IUPAC Nameacenaphthylene-1,2-dione
Molecular FormulaC12H6O2
Molecular Weight182.17
XLogP1.9
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity267
SMILES
C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2
InChI
InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
InChIKey
AFPRJLBZLPBTPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acenaphthenequinone
CAS: 82-86-0
CID: 6724
Formula: C12H6O2
MW: 182.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.17
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass182.036779430
Monoisotopic Mass182.036779430
Topological Polar Surface Area34.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity267
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
260319-01AcenaphtheneQuinone
A00200-01Acenaphthenequinone 95%
sc-471840Acenaphthenequinone Dioxime

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