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1135-62-2 | 3,5-Piperidinedicarbonitrile, 4-ethyl-4-methyl-2,6-dioxo-
CAS No: 1135-62-2 Catalog No: AG0008S5 MDL No:MFCD00023875
Product Description
Catalog Number:
AG0008S5
Chemical Name:
3,5-Piperidinedicarbonitrile, 4-ethyl-4-methyl-2,6-dioxo-
CAS Number:
1135-62-2
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD00023875
IUPAC Name:
4-ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
InChI:
InChI=1S/C10H11N3O2/c1-3-10(2)6(4-11)8(14)13-9(15)7(10)5-12/h6-7H,3H2,1-2H3,(H,13,14,15)
InChI Key:
ISARNQWKABTJEY-UHFFFAOYSA-N
SMILES:
CCC1(C)C(C#N)C(=O)NC(=O)C1C#N
NSC Number:
147025
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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