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Phenidone

CAT: 0127-OR1014624-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1014624-01Size:25 g
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CAS Number
92-43-3
MDL Number
MFCD00003094
Purity
99%
Smiles
O=C1CCN(N1)c2ccccc2

Chemical Information

Phenidone

photographic developer; RN given refers to parent cpd; structure

CAS Number92-43-3
PubChem CID7090
IUPAC Name1-phenylpyrazolidin-3-one
Molecular FormulaC9H10N2O
Molecular Weight162.19
XLogP0.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity175
SMILES
C1CN(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKey
CMCWWLVWPDLCRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenidone
CAS: 92-43-3
CID: 7090
Formula: C9H10N2O
MW: 162.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight162.19
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass162.079312947
Monoisotopic Mass162.079312947
Topological Polar Surface Area32.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity175
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