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Home > Other Heterocycles > 14063-00-4
14063-00-4 | 3-Azabicyclo[3.1.0]hexane-1,5-dicarbonitrile, 2,4-dioxo-6-phenyl-
CAS No: 14063-00-4 Catalog No: AG001CM1 MDL No:
Product Description
Catalog Number:
AG001CM1
Chemical Name:
3-Azabicyclo[3.1.0]hexane-1,5-dicarbonitrile, 2,4-dioxo-6-phenyl-
CAS Number:
14063-00-4
Molecular Formula:
C13H7N3O2
Molecular Weight:
237.2136
IUPAC Name:
2,4-dioxo-6-phenyl-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
InChI:
InChI=1S/C13H7N3O2/c14-6-12-9(8-4-2-1-3-5-8)13(12,7-15)11(18)16-10(12)17/h1-5,9H,(H,16,17,18)
InChI Key:
XXMGUTBJCCMNMD-UHFFFAOYSA-N
SMILES:
N#CC12C(=O)NC(=O)C2(C1c1ccccc1)C#N
NSC Number:
98382
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.218g/mol
Monoisotopic Mass:
237.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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