Home Nitriles 1-methoxy-4-phenylcyclohexane-1-carbonitrile

1-methoxy-4-phenylcyclohexane-1-carbonitrile

CAS No.:
1486849-96-0
Catalog Number:
AG01BALA
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
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Product Description
Catalog Number:
AG01BALA
Chemical Name:
1-methoxy-4-phenylcyclohexane-1-carbonitrile
CAS Number:
1486849-96-0
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
MDL Number:
MFCD21684367
IUPAC Name:
1-methoxy-4-phenylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C14H17NO/c1-16-14(11-15)9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
InChI Key:
MWZPXENIXSHQCT-UHFFFAOYSA-N
SMILES:
COC1(CCC(CC1)c1ccccc1)C#N
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties