Home Nitriles 1-ethylcyclohexane-1-carbonitrile

1-ethylcyclohexane-1-carbonitrile

CAS No.:
72335-56-9
Catalog Number:
AG01ABOF
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
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Product Description
Catalog Number:
AG01ABOF
Chemical Name:
1-ethylcyclohexane-1-carbonitrile
CAS Number:
72335-56-9
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
MDL Number:
MFCD21296131
IUPAC Name:
1-ethylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C9H15N/c1-2-9(8-10)6-4-3-5-7-9/h2-7H2,1H3
InChI Key:
MEHBOHFZFXGIQL-UHFFFAOYSA-N
SMILES:
CCC1(CCCCC1)C#N
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.12g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.226g/mol
Monoisotopic Mass:
137.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties