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304904-62-9 | 6-Quinolinecarbonitrile, 3,4-dihydro-4-oxo-
CAS No: 304904-62-9 Catalog No: AG0030CT MDL No:
Product Description
Catalog Number:
AG0030CT
Chemical Name:
6-Quinolinecarbonitrile, 3,4-dihydro-4-oxo-
CAS Number:
304904-62-9
Molecular Formula:
C10H6N2O
Molecular Weight:
170.1674
IUPAC Name:
4-oxo-3H-quinoline-6-carbonitrile
InChI:
InChI=1S/C10H6N2O/c11-6-7-1-2-9-8(5-7)10(13)3-4-12-9/h1-2,4-5H,3H2
InChI Key:
QEWQDWQXFANIEZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(=O)CC=N2
Properties
Complexity:
299
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.171g/mol
Monoisotopic Mass:
170.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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