Home Nitriles Cyclobutanecarbonitrile, 3-oxo-1-phenyl-

Cyclobutanecarbonitrile, 3-oxo-1-phenyl-

CAS No.:
202737-51-7
Catalog Number:
AG00I3SY
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
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Product Description
Catalog Number:
AG00I3SY
Chemical Name:
Cyclobutanecarbonitrile, 3-oxo-1-phenyl-
CAS Number:
202737-51-7
Molecular Formula:
C11H9NO
Molecular Weight:
171.1953
MDL Number:
MFCD20440598
IUPAC Name:
3-oxo-1-phenylcyclobutane-1-carbonitrile
InChI:
InChI=1S/C11H9NO/c12-8-11(6-10(13)7-11)9-4-2-1-3-5-9/h1-5H,6-7H2
InChI Key:
KGKZWWPKRDPAHQ-UHFFFAOYSA-N
SMILES:
N#CC1(CC(=O)C1)c1ccccc1
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.068g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.199g/mol
Monoisotopic Mass:
171.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties