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1267469-16-8 | 2-oxo-6-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No: 1267469-16-8 Catalog No: AG01AGZX MDL No:MFCD16853429
Product Description
Catalog Number:
AG01AGZX
Chemical Name:
2-oxo-6-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS Number:
1267469-16-8
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD16853429
IUPAC Name:
2-oxo-6-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C13H16N2O/c1-8(2)9-3-4-12-10(5-9)6-11(7-14)13(16)15-12/h6,8-9H,3-5H2,1-2H3,(H,15,16)
InChI Key:
LHSYJVGKRRPUEA-UHFFFAOYSA-N
SMILES:
CC(C1CCc2c(C1)cc(c(=O)[nH]2)C#N)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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