Home Nitriles 4-ethylcyclohex-1-ene-1-carbonitrile

4-ethylcyclohex-1-ene-1-carbonitrile

CAS No.:
1251923-82-6
Catalog Number:
AG019NGC
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
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Product Description
Catalog Number:
AG019NGC
Chemical Name:
4-ethylcyclohex-1-ene-1-carbonitrile
CAS Number:
1251923-82-6
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD16817389
IUPAC Name:
4-ethylcyclohexene-1-carbonitrile
InChI:
InChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h5,8H,2-4,6H2,1H3
InChI Key:
QINNUVWYMDPAJA-UHFFFAOYSA-N
SMILES:
CCC1CCC(=CC1)C#N
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties