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15074-49-4 | Pentanedinitrile, 2,4-dimethyl-
CAS No: 15074-49-4 Catalog No: AG001MUM MDL No:
Product Description
Catalog Number:
AG001MUM
Chemical Name:
Pentanedinitrile, 2,4-dimethyl-
CAS Number:
15074-49-4
Molecular Formula:
C7H10N2
Molecular Weight:
122.1677
IUPAC Name:
2,4-dimethylpentanedinitrile
InChI:
InChI=1S/C7H10N2/c1-6(4-8)3-7(2)5-9/h6-7H,3H2,1-2H3
InChI Key:
RISJWFYSMKOETR-UHFFFAOYSA-N
SMILES:
CC(C#N)CC(C#N)C
Properties
Complexity:
146
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:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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