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Home > Other Heterocycles > 89027-55-4
89027-55-4 | Phenol, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)-
CAS No: 89027-55-4 Catalog No: AG0042R1 MDL No:
Product Description
Catalog Number:
AG0042R1
Chemical Name:
Phenol, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)-
CAS Number:
89027-55-4
Molecular Formula:
C19H28O
Molecular Weight:
272.4250
IUPAC Name:
4-(4-pentyl-1-bicyclo[2.2.2]octanyl)phenol
InChI:
InChI=1S/C19H28O/c1-2-3-4-9-18-10-13-19(14-11-18,15-12-18)16-5-7-17(20)8-6-16/h5-8,20H,2-4,9-15H2,1H3
InChI Key:
KWJMEZCXFGMQJU-UHFFFAOYSA-N
SMILES:
CCCCCC12CCC(CC1)(CC2)c1ccc(cc1)O
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.214g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.432g/mol
Monoisotopic Mass:
272.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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