Home Nitriles 6-oxo-3-phenylpiperidine-3-carbonitrile

6-oxo-3-phenylpiperidine-3-carbonitrile

CAS No.:
1955541-39-5
Catalog Number:
AG01BCMB
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
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Product Description
Catalog Number:
AG01BCMB
Chemical Name:
6-oxo-3-phenylpiperidine-3-carbonitrile
CAS Number:
1955541-39-5
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD30180306
IUPAC Name:
6-oxo-3-phenylpiperidine-3-carbonitrile
InChI:
InChI=1S/C12H12N2O/c13-8-12(7-6-11(15)14-9-12)10-4-2-1-3-5-10/h1-5H,6-7,9H2,(H,14,15)
InChI Key:
OWLJGHKAWSSCLM-UHFFFAOYSA-N
SMILES:
N#CC1(CCC(=O)NC1)c1ccccc1
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties