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42940-52-3 | 3-Azaspiro[5.5]undecane-1,5-dicarbonitrile, 3-methyl-2,4-dioxo-
CAS No: 42940-52-3 Catalog No: AG0070AD MDL No:
Product Description
Catalog Number:
AG0070AD
Chemical Name:
3-Azaspiro[5.5]undecane-1,5-dicarbonitrile, 3-methyl-2,4-dioxo-
CAS Number:
42940-52-3
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
3-methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
InChI:
InChI=1S/C13H15N3O2/c1-16-11(17)9(7-14)13(5-3-2-4-6-13)10(8-15)12(16)18/h9-10H,2-6H2,1H3
InChI Key:
KEYPWCXCVHWNAE-UHFFFAOYSA-N
SMILES:
CN1C(=O)C(C#N)C2(C(C1=O)C#N)CCCCC2
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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