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13017-52-2 | Propanedinitrile, 2-(1,2-dimethylpropylidene)-
CAS No: 13017-52-2 Catalog No: AG000U3N MDL No:
Product Description
Catalog Number:
AG000U3N
Chemical Name:
Propanedinitrile, 2-(1,2-dimethylpropylidene)-
CAS Number:
13017-52-2
Molecular Formula:
C8H10N2
Molecular Weight:
134.1784
IUPAC Name:
2-(3-methylbutan-2-ylidene)propanedinitrile
InChI:
InChI=1S/C8H10N2/c1-6(2)7(3)8(4-9)5-10/h6H,1-3H3
InChI Key:
SZQDVOLRVOUCSJ-UHFFFAOYSA-N
SMILES:
N#CC(=C(C(C)C)C)C#N
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.182g/mol
Monoisotopic Mass:
134.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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