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113525-69-2 | 4H-Quinolizine-1,3-dicarbonitrile, 6-methyl-4-oxo-
CAS No: 113525-69-2 Catalog No: AG0008WM MDL No:
Product Description
Catalog Number:
AG0008WM
Chemical Name:
4H-Quinolizine-1,3-dicarbonitrile, 6-methyl-4-oxo-
CAS Number:
113525-69-2
Molecular Formula:
C12H7N3O
Molecular Weight:
209.2035
IUPAC Name:
6-methyl-4-oxoquinolizine-1,3-dicarbonitrile
InChI:
InChI=1S/C12H7N3O/c1-8-3-2-4-11-9(6-13)5-10(7-14)12(16)15(8)11/h2-5H,1H3
InChI Key:
QNOHQNZSHMDNMP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)c(=O)n2c1cccc2C
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.208g/mol
Monoisotopic Mass:
209.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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