Home Nitriles Benzonitrile, 4-(2-oxoethyl)-

Benzonitrile, 4-(2-oxoethyl)-

CAS No.:
76113-58-1
Catalog Number:
AG008OMK
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
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Product Description
Catalog Number:
AG008OMK
Chemical Name:
Benzonitrile, 4-(2-oxoethyl)-
CAS Number:
76113-58-1
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
4-(2-oxoethyl)benzonitrile
InChI:
InChI=1S/C9H7NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,6H,5H2
InChI Key:
BTDMXRCUNUVYDT-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(cc1)C#N
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties