Home Nitriles 1-methylcyclohex-2-ene-1-carbonitrile

1-methylcyclohex-2-ene-1-carbonitrile

CAS No.:
68317-68-0
Catalog Number:
AG01EM6D
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
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Product Description
Catalog Number:
AG01EM6D
Chemical Name:
1-methylcyclohex-2-ene-1-carbonitrile
CAS Number:
68317-68-0
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
MDL Number:
MFCD31615891
IUPAC Name:
1-methylcyclohex-2-ene-1-carbonitrile
InChI:
InChI=1S/C8H11N/c1-8(7-9)5-3-2-4-6-8/h3,5H,2,4,6H2,1H3
InChI Key:
XMYDLIADJCDVCR-UHFFFAOYSA-N
SMILES:
CC1(CCCC=C1)C#N
Properties
Complexity:
172  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties