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288379-66-8 | 1-(pyridin-4-yl)cyclohexane-1-carbonitrile
CAS No: 288379-66-8 Catalog No: AG01AL8G MDL No:MFCD22000029
Product Description
Catalog Number:
AG01AL8G
Chemical Name:
1-(pyridin-4-yl)cyclohexane-1-carbonitrile
CAS Number:
288379-66-8
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD22000029
IUPAC Name:
1-pyridin-4-ylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C12H14N2/c13-10-12(6-2-1-3-7-12)11-4-8-14-9-5-11/h4-5,8-9H,1-3,6-7H2
InChI Key:
NJVILSGXISBONZ-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)c1ccncc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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