Home Nitriles 6-oxoheptanenitrile

6-oxoheptanenitrile

CAS No.:
18458-15-6
Catalog Number:
AG01C37B
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
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Product Description
Catalog Number:
AG01C37B
Chemical Name:
6-oxoheptanenitrile
CAS Number:
18458-15-6
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD22414312
IUPAC Name:
6-oxoheptanenitrile
InChI:
InChI=1S/C7H11NO/c1-7(9)5-3-2-4-6-8/h2-5H2,1H3
InChI Key:
BZEDOUOYONZTRD-UHFFFAOYSA-N
SMILES:
N#CCCCCC(=O)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:
4  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties