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13134-11-7 | Propanedinitrile, 2-(1,3-dimethylbutylidene)-
CAS No: 13134-11-7 Catalog No: AG000VZE MDL No:
Product Description
Catalog Number:
AG000VZE
Chemical Name:
Propanedinitrile, 2-(1,3-dimethylbutylidene)-
CAS Number:
13134-11-7
Molecular Formula:
C9H12N2
Molecular Weight:
148.2050
IUPAC Name:
2-(4-methylpentan-2-ylidene)propanedinitrile
InChI:
InChI=1S/C9H12N2/c1-7(2)4-8(3)9(5-10)6-11/h7H,4H2,1-3H3
InChI Key:
JZIRXADCEWFWTH-UHFFFAOYSA-N
SMILES:
CC(CC(=C(C#N)C#N)C)C
NSC Number:
108974
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.209g/mol
Monoisotopic Mass:
148.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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