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Home > Other Heterocycles > 89027-58-7
89027-58-7 | Phenol, 4-(4-heptylbicyclo[2.2.2]oct-1-yl)-
CAS No: 89027-58-7 Catalog No: AG0044BK MDL No:
Product Description
Catalog Number:
AG0044BK
Chemical Name:
Phenol, 4-(4-heptylbicyclo[2.2.2]oct-1-yl)-
CAS Number:
89027-58-7
Molecular Formula:
C21H32O
Molecular Weight:
300.4782
IUPAC Name:
4-(4-heptyl-1-bicyclo[2.2.2]octanyl)phenol
InChI:
InChI=1S/C21H32O/c1-2-3-4-5-6-11-20-12-15-21(16-13-20,17-14-20)18-7-9-19(22)10-8-18/h7-10,22H,2-6,11-17H2,1H3
InChI Key:
YEXPVMFFJVJLBF-UHFFFAOYSA-N
SMILES:
CCCCCCCC12CCC(CC1)(CC2)c1ccc(cc1)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.245g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.486g/mol
Monoisotopic Mass:
300.245g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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