Home Nitriles bicyclo[4.1.0]heptane-2-carbonitrile

bicyclo[4.1.0]heptane-2-carbonitrile

CAS No.:
1781586-03-5
Catalog Number:
AG01B2F4
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
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Product Description
Catalog Number:
AG01B2F4
Chemical Name:
bicyclo[4.1.0]heptane-2-carbonitrile
CAS Number:
1781586-03-5
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
MDL Number:
MFCD28654138
IUPAC Name:
bicyclo[4.1.0]heptane-2-carbonitrile
InChI:
InChI=1S/C8H11N/c9-5-7-3-1-2-6-4-8(6)7/h6-8H,1-4H2
InChI Key:
KHZRHCLYWZAFMT-UHFFFAOYSA-N
SMILES:
N#CC1CCCC2C1C2
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties