Home Nitriles 4-methylpent-4-enenitrile

4-methylpent-4-enenitrile

CAS No.:
34998-36-2
Catalog Number:
AG01BAPF
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
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Product Description
Catalog Number:
AG01BAPF
Chemical Name:
4-methylpent-4-enenitrile
CAS Number:
34998-36-2
Molecular Formula:
C6H9N
Molecular Weight:
95.1424
MDL Number:
MFCD00204043
IUPAC Name:
4-methylpent-4-enenitrile
InChI:
InChI=1S/C6H9N/c1-6(2)4-3-5-7/h1,3-4H2,2H3
InChI Key:
XGXZPXIIEIAJKL-UHFFFAOYSA-N
SMILES:
N#CCCC(=C)C
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
95.073g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.145g/mol
Monoisotopic Mass:
95.073g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties