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2-Isonitrosopropiophenone

CAT: 1489-I8390-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-I8390-01Size:1 g
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CAS Number
119-51-7
Purity
0.98

Chemical Information

1-Phenyl-1,2-propanedione-2-oxime
CAS Number119-51-7
PubChem CID9566063
IUPAC Name(2E)-2-hydroxyimino-1-phenylpropan-1-one
Molecular FormulaC9H9NO2
Molecular Weight163.17
XLogP2.1
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity193
SMILES
C/C(=N\O)/C(=O)C1=CC=CC=C1
InChI
InChI=1S/C9H9NO2/c1-7(10-12)9(11)8-5-3-2-4-6-8/h2-6,12H,1H3/b10-7+
InChIKey
YPINLRNGSGGJJT-JXMROGBWSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenyl-1,2-propanedione-2-oxime
CAS: 119-51-7
CID: 9566063
Formula: C9H9NO2
MW: 163.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.17
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass163.063328530
Monoisotopic Mass163.063328530
Topological Polar Surface Area49.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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