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159053-44-8 | 6-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-2-oxo-
CAS No: 159053-44-8 Catalog No: AG001QFP MDL No:MFCD13179482
Product Description
Catalog Number:
AG001QFP
Chemical Name:
6-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-2-oxo-
CAS Number:
159053-44-8
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD13179482
IUPAC Name:
2-oxo-3,4-dihydro-1H-quinoline-6-carbonitrile
InChI:
InChI=1S/C10H8N2O/c11-6-7-1-3-9-8(5-7)2-4-10(13)12-9/h1,3,5H,2,4H2,(H,12,13)
InChI Key:
JLJAWZROXAVJMK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCC(=O)N2
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:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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