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18121-89-6 | 3-Quinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-2-oxo-4-phenyl-
CAS No: 18121-89-6 Catalog No: AG0022QK MDL No:
Product Description
Catalog Number:
AG0022QK
Chemical Name:
3-Quinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-2-oxo-4-phenyl-
CAS Number:
18121-89-6
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
2-oxo-4-phenyl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C16H14N2O/c17-10-13-15(11-6-2-1-3-7-11)12-8-4-5-9-14(12)18-16(13)19/h1-3,6-7H,4-5,8-9H2,(H,18,19)
InChI Key:
KIAKRKJPPWTPJE-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c2c(c1c1ccccc1)CCCC2
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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