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36263-51-1 | 1-(4-Methoxyphenyl)cyclohexanecarbonitrile
CAS No: 36263-51-1 Catalog No: AG003D07 MDL No:MFCD00021282
Product Description
Catalog Number:
AG003D07
Chemical Name:
1-(4-Methoxyphenyl)cyclohexanecarbonitrile
CAS Number:
36263-51-1
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
MDL Number:
MFCD00021282
IUPAC Name:
1-(4-methoxyphenyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C14H17NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChI Key:
YQXUSXSQFVWPRQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(CCCCC1)C#N
EC Number:
252-938-7
NSC Number:
155171
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:
3.5
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