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Home > Other Heterocycles > 89058-95-7
89058-95-7 | 3-Azabicyclo[3.2.0]hept-2-ene-1,5-dicarbonitrile, 2,4-diphenyl-
CAS No: 89058-95-7 Catalog No: AG0041K7 MDL No:
Product Description
Catalog Number:
AG0041K7
Chemical Name:
3-Azabicyclo[3.2.0]hept-2-ene-1,5-dicarbonitrile, 2,4-diphenyl-
CAS Number:
89058-95-7
Molecular Formula:
C20H15N3
Molecular Weight:
297.3532
IUPAC Name:
2,4-diphenyl-3-azabicyclo[3.2.0]hept-2-ene-1,5-dicarbonitrile
InChI:
InChI=1S/C20H15N3/c21-13-19-11-12-20(19,14-22)18(16-9-5-2-6-10-16)23-17(19)15-7-3-1-4-8-15/h1-10,17H,11-12H2
InChI Key:
OLFOBFQQWDGZAO-UHFFFAOYSA-N
SMILES:
N#CC12CCC2(C#N)C(=NC1c1ccccc1)c1ccccc1
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.361g/mol
Monoisotopic Mass:
297.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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