Home Nitriles 3-(2-oxoazetidin-1-yl)benzonitrile

3-(2-oxoazetidin-1-yl)benzonitrile

CAS No.:
1803609-05-3
Catalog Number:
AG01BGC5
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
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Product Description
Catalog Number:
AG01BGC5
Chemical Name:
3-(2-oxoazetidin-1-yl)benzonitrile
CAS Number:
1803609-05-3
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD28139382
IUPAC Name:
3-(2-oxoazetidin-1-yl)benzonitrile
InChI:
InChI=1S/C10H8N2O/c11-7-8-2-1-3-9(6-8)12-5-4-10(12)13/h1-3,6H,4-5H2
InChI Key:
SNHFRYHTLCJECZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1CCC1=O
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties