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361367-06-8 | 3,4-Quinolinedicarbonitrile, 1,2,5,6,7,8-hexahydro-5-methyl-8-(1-methylethyl)-2-oxo-
CAS No: 361367-06-8 Catalog No: AG00D5AP MDL No:
Product Description
Catalog Number:
AG00D5AP
Chemical Name:
3,4-Quinolinedicarbonitrile, 1,2,5,6,7,8-hexahydro-5-methyl-8-(1-methylethyl)-2-oxo-
CAS Number:
361367-06-8
IUPAC Name:
5-methyl-2-oxo-8-propan-2-yl-5,6,7,8-tetrahydro-1H-quinoline-3,4-dicarbonitrile
InChI:
InChI=1S/C15H17N3O/c1-8(2)10-5-4-9(3)13-11(6-16)12(7-17)15(19)18-14(10)13/h8-10H,4-5H2,1-3H3,(H,18,19)
InChI Key:
NGTLMNUJLHPUOE-UHFFFAOYSA-N
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.321g/mol
Monoisotopic Mass:
255.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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