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774561-61-4 | (4,6-diethyl-4,8-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)malononitrile
CAS No: 774561-61-4 Catalog No: AG018WP9 MDL No:
Product Description
Catalog Number:
AG018WP9
Chemical Name:
(4,6-diethyl-4,8-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)malononitrile
CAS Number:
774561-61-4
Molecular Formula:
C20H19N3O
Molecular Weight:
317.3844
IUPAC Name:
2-(9,11-diethyl-6,11-dimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-ylidene)propanedinitrile
InChI:
InChI=1S/C20H19N3O/c1-5-13-9-20(4,6-2)23-18-15(13)7-12(3)8-16(18)17(19(23)24)14(10-21)11-22/h7-9H,5-6H2,1-4H3
InChI Key:
AEROOYRXTPKXPF-UHFFFAOYSA-N
SMILES:
N#CC(=C1C(=O)N2c3c1cc(C)cc3C(=CC2(C)CC)CC)C#N
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.392g/mol
Monoisotopic Mass:
317.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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