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88639-41-2 | Benzonitrile,4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS No: 88639-41-2 Catalog No: AG00492H MDL No:
Product Description
Catalog Number:
AG00492H
Chemical Name:
Benzonitrile,4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS Number:
88639-41-2
Molecular Formula:
C22H31N
Molecular Weight:
309.4882
IUPAC Name:
4-[4-(4-propylcyclohexyl)cyclohexyl]benzonitrile
InChI:
InChI=1S/C22H31N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10-11,17,19,21-22H,2-5,8-9,12-15H2,1H3
InChI Key:
WQJVIFBSXSFHDA-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1ccc(cc1)C#N
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.246g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.497g/mol
Monoisotopic Mass:
309.246g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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