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Home > Other Heterocycles > 89027-47-4
89027-47-4 | Nonanoic acid, 4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl ester
CAS No: 89027-47-4 Catalog No: AG0044BO MDL No:
Product Description
Catalog Number:
AG0044BO
Chemical Name:
Nonanoic acid, 4-(4-hexylbicyclo[2.2.2]oct-1-yl)phenyl ester
CAS Number:
89027-47-4
Molecular Formula:
C29H46O2
Molecular Weight:
426.6743
IUPAC Name:
[4-(4-hexyl-1-bicyclo[2.2.2]octanyl)phenyl] nonanoate
InChI:
InChI=1S/C29H46O2/c1-3-5-7-9-10-11-13-27(30)31-26-16-14-25(15-17-26)29-22-19-28(20-23-29,21-24-29)18-12-8-6-4-2/h14-17H,3-13,18-24H2,1-2H3
InChI Key:
HPQBQYNIPMPQRJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)Oc1ccc(cc1)C12CCC(CC1)(CC2)CCCCCC
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.35g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.685g/mol
Monoisotopic Mass:
426.35g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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