Home Nitriles 2-formyl-4-methylpentanenitrile

2-formyl-4-methylpentanenitrile

CAS No.:
63726-64-7
Catalog Number:
AG01B6FX
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
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Product Description
Catalog Number:
AG01B6FX
Chemical Name:
2-formyl-4-methylpentanenitrile
CAS Number:
63726-64-7
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD16068917
IUPAC Name:
2-formyl-4-methylpentanenitrile
InChI:
InChI=1S/C7H11NO/c1-6(2)3-7(4-8)5-9/h5-7H,3H2,1-2H3
InChI Key:
VAYKBFIOVFAGDY-UHFFFAOYSA-N
SMILES:
O=CC(C#N)CC(C)C
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties