Home Nitriles 5-methyl-3-oxohexanenitrile

5-methyl-3-oxohexanenitrile

CAS No.:
64373-43-9
Catalog Number:
AG01A94Z
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A94Z
Chemical Name:
5-methyl-3-oxohexanenitrile
CAS Number:
64373-43-9
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD01960834
IUPAC Name:
5-methyl-3-oxohexanenitrile
InChI:
InChI=1S/C7H11NO/c1-6(2)5-7(9)3-4-8/h6H,3,5H2,1-2H3
InChI Key:
MWTCJTAGNBZWSO-UHFFFAOYSA-N
SMILES:
N#CCC(=O)CC(C)C
Properties
Complexity:
140  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties