Home Nitriles 3-Quinolinecarbonitrile, 1,2-dihydro-2-oxo-

3-Quinolinecarbonitrile, 1,2-dihydro-2-oxo-

CAS No.:
36926-82-6
Catalog Number:
AG00I7B3
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
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Product Description
Catalog Number:
AG00I7B3
Chemical Name:
3-Quinolinecarbonitrile, 1,2-dihydro-2-oxo-
CAS Number:
36926-82-6
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
MDL Number:
MFCD02175936
IUPAC Name:
2-oxo-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5H,(H,12,13)
InChI Key:
WNRMLIGSXULUPQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccccc2[nH]c1=O
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties