Home Nitriles 1-methoxycyclohexane-1-carbonitrile

1-methoxycyclohexane-1-carbonitrile

CAS No.:
83268-57-9
Catalog Number:
AG01ACIZ
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
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Product Description
Catalog Number:
AG01ACIZ
Chemical Name:
1-methoxycyclohexane-1-carbonitrile
CAS Number:
83268-57-9
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD21338193
IUPAC Name:
1-methoxycyclohexane-1-carbonitrile
InChI:
InChI=1S/C8H13NO/c1-10-8(7-9)5-3-2-4-6-8/h2-6H2,1H3
InChI Key:
SOQLZFRLDXMIES-UHFFFAOYSA-N
SMILES:
COC1(CCCCC1)C#N
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties