Home Nitriles 4-methyl-3-oxohexanenitrile

4-methyl-3-oxohexanenitrile

CAS No.:
42124-66-3
Catalog Number:
AG01A94Y
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
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Product Description
Catalog Number:
AG01A94Y
Chemical Name:
4-methyl-3-oxohexanenitrile
CAS Number:
42124-66-3
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD11187386
IUPAC Name:
4-methyl-3-oxohexanenitrile
InChI:
InChI=1S/C7H11NO/c1-3-6(2)7(9)4-5-8/h6H,3-4H2,1-2H3
InChI Key:
XWIHHAWAPXYFOX-UHFFFAOYSA-N
SMILES:
CC(C(=O)CC#N)CC
Properties
Complexity:
142  
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:
1.2  
Properties