Home Nitriles 1-acetylpiperidine-3-carbonitrile

1-acetylpiperidine-3-carbonitrile

CAS No.:
22977-35-1
Catalog Number:
AG01A11K
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
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Product Description
Catalog Number:
AG01A11K
Chemical Name:
1-acetylpiperidine-3-carbonitrile
CAS Number:
22977-35-1
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD19347129
IUPAC Name:
1-acetylpiperidine-3-carbonitrile
InChI:
InChI=1S/C8H12N2O/c1-7(11)10-4-2-3-8(5-9)6-10/h8H,2-4,6H2,1H3
InChI Key:
MPXRPMCOUTYVJD-UHFFFAOYSA-N
SMILES:
N#CC1CCCN(C1)C(=O)C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties