Home Nitriles 3-oxocycloheptane-1-carbonitrile

3-oxocycloheptane-1-carbonitrile

CAS No.:
37664-69-0
Catalog Number:
AG01BHQH
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
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Product Description
Catalog Number:
AG01BHQH
Chemical Name:
3-oxocycloheptane-1-carbonitrile
CAS Number:
37664-69-0
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD00506607
IUPAC Name:
3-oxocycloheptane-1-carbonitrile
InChI:
InChI=1S/C8H11NO/c9-6-7-3-1-2-4-8(10)5-7/h7H,1-5H2
InChI Key:
UOLCFSMIUFFZPF-UHFFFAOYSA-N
SMILES:
N#CC1CCCCC(=O)C1
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties