Home Nitriles Pentanenitrile, 3-methyl-

Pentanenitrile, 3-methyl-

CAS No.:
21101-88-2
Catalog Number:
AG002L3X
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
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Product Description
Catalog Number:
AG002L3X
Chemical Name:
Pentanenitrile, 3-methyl-
CAS Number:
21101-88-2
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
IUPAC Name:
3-methylpentanenitrile
InChI:
InChI=1S/C6H11N/c1-3-6(2)4-5-7/h6H,3-4H2,1-2H3
InChI Key:
MMRQLDRBAXLMRH-UHFFFAOYSA-N
SMILES:
CC(CC)CC#N
Properties
Complexity:
77.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.161g/mol
Monoisotopic Mass:
97.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties