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13945-80-7 | Nonanedinitrile, 2,2,8,8-tetramethyl-
CAS No: 13945-80-7 Catalog No: AG001B22 MDL No:
Product Description
Catalog Number:
AG001B22
Chemical Name:
Nonanedinitrile, 2,2,8,8-tetramethyl-
CAS Number:
13945-80-7
Molecular Formula:
C13H22N2
Molecular Weight:
206.3272
IUPAC Name:
2,2,8,8-tetramethylnonanedinitrile
InChI:
InChI=1S/C13H22N2/c1-12(2,10-14)8-6-5-7-9-13(3,4)11-15/h5-9H2,1-4H3
InChI Key:
YCVYNODSHCUHLH-UHFFFAOYSA-N
SMILES:
N#CC(CCCCCC(C#N)(C)C)(C)C
NSC Number:
99247
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.333g/mol
Monoisotopic Mass:
206.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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