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90946-20-6 | 3,6,6-trimethyl-2,4-dioxo-3-azabicyclo(3.1.0)hexane-1,5-dicarbonitrile
CAS No: 90946-20-6 Catalog No: AG006GAE MDL No:
Product Description
Catalog Number:
AG006GAE
Chemical Name:
3,6,6-trimethyl-2,4-dioxo-3-azabicyclo(3.1.0)hexane-1,5-dicarbonitrile
CAS Number:
90946-20-6
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
3,6,6-trimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
InChI:
InChI=1S/C10H9N3O2/c1-8(2)9(4-11)6(14)13(3)7(15)10(8,9)5-12/h1-3H3
InChI Key:
QXACOEJDBFKIEL-UHFFFAOYSA-N
SMILES:
N#CC12C(=O)N(C(=O)C1(C2(C)C)C#N)C
NSC Number:
97129
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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