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Acenaphthenequinone Dioxime

CAT: 0127-OR1077612Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1077612Size:5 g
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CAS Number
1932-08-7
MDL Number
MFCD00059513
Purity
≥95%
Smiles
C1=CC2=C3C (=C1) C (=NO) C (=NO) C3=CC=C2

Chemical Information

Acenaphthenequinone Dioxime
CAS Number1932-08-7
PubChem CID135470155
IUPAC NameN-(2-hydroxyiminoacenaphthylen-1-ylidene)hydroxylamine
Molecular FormulaC12H8N2O2
Molecular Weight212.20
XLogP2.5
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity319
SMILES
C1=CC2=C3C(=C1)C(=NO)C(=NO)C3=CC=C2
InChI
InChI=1S/C12H8N2O2/c15-13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14-16/h1-6,15-16H
InChIKey
ZBHVKJFVTXXTEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acenaphthenequinone Dioxime
CAS: 1932-08-7
CID: 135470155
Formula: C12H8N2O2
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass212.058577502
Monoisotopic Mass212.058577502
Topological Polar Surface Area65.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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