Home Nitriles 5-Hexenenitrile, 2-methyl-

5-Hexenenitrile, 2-methyl-

CAS No.:
30316-00-8
Catalog Number:
AG002ZOK
Molecular Formula:
C7H11N
Molecular Weight:
109.1689
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Product Description
Catalog Number:
AG002ZOK
Chemical Name:
5-Hexenenitrile, 2-methyl-
CAS Number:
30316-00-8
Molecular Formula:
C7H11N
Molecular Weight:
109.1689
MDL Number:
MFCD31559942
IUPAC Name:
2-methylhex-5-enenitrile
InChI:
InChI=1S/C7H11N/c1-3-4-5-7(2)6-8/h3,7H,1,4-5H2,2H3
InChI Key:
WSLQODBTEPJISE-UHFFFAOYSA-N
SMILES:
CC(C#N)CCC=C
Properties
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.089g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.172g/mol
Monoisotopic Mass:
109.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties