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Home > Other Heterocycles > 89027-37-2
89027-37-2 | Heptanoic acid, 4-(4-propylbicyclo[2.2.2]oct-1-yl)phenyl ester
CAS No: 89027-37-2 Catalog No: AG0042R7 MDL No:
Product Description
Catalog Number:
AG0042R7
Chemical Name:
Heptanoic acid, 4-(4-propylbicyclo[2.2.2]oct-1-yl)phenyl ester
CAS Number:
89027-37-2
Molecular Formula:
C24H36O2
Molecular Weight:
356.5414
IUPAC Name:
[4-(4-propyl-1-bicyclo[2.2.2]octanyl)phenyl] heptanoate
InChI:
InChI=1S/C24H36O2/c1-3-5-6-7-8-22(25)26-21-11-9-20(10-12-21)24-17-14-23(13-4-2,15-18-24)16-19-24/h9-12H,3-8,13-19H2,1-2H3
InChI Key:
JAIKEVQCHGZLJN-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)Oc1ccc(cc1)C12CCC(CC1)(CC2)CCC
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.272g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.55g/mol
Monoisotopic Mass:
356.272g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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