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16525-39-6 | Hexanedinitrile, 2-methyl-
CAS No: 16525-39-6 Catalog No: AG001W11 MDL No:
Product Description
Catalog Number:
AG001W11
Chemical Name:
Hexanedinitrile, 2-methyl-
CAS Number:
16525-39-6
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
IUPAC Name:
2-methylhexanedinitrile
InChI:
InChI=1S/C7H10N2/c1-7(6-9)4-2-3-5-8/h7H,2-4H2,1H3
InChI Key:
SBDSWNLTVOAIPQ-UHFFFAOYSA-N
SMILES:
N#CCCCC(C#N)C
NSC Number:
148362
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.171g/mol
Monoisotopic Mass:
122.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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