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Home > Pyridines > 159804-89-4
159804-89-4 | Pyridine, 2-[[1-(cyclopentadienyl)cyclohexyl]methyl]- (9CI)
CAS No: 159804-89-4 Catalog No: AG001REP MDL No:
Product Description
Catalog Number:
AG001REP
Chemical Name:
Pyridine, 2-[[1-(cyclopentadienyl)cyclohexyl]methyl]- (9CI)
CAS Number:
159804-89-4
Molecular Formula:
C17H21N
Molecular Weight:
239.3553
IUPAC Name:
2-[(1-cyclopenta-1,3-dien-1-ylcyclohexyl)methyl]pyridine
InChI:
InChI=1S/C17H21N/c1-5-11-17(12-6-1,15-8-2-3-9-15)14-16-10-4-7-13-18-16/h2-4,7-8,10,13H,1,5-6,9,11-12,14H2
InChI Key:
PGXSMAGMAYJUCZ-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)(Cc1ccccn1)C1C=CC=C1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.362g/mol
Monoisotopic Mass:
239.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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