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Home > Other Heterocycles > 848820-68-8
848820-68-8 | Bicyclo[2.2.1]heptane, 2,2'-(2,4,6-trimethyl-1,3-phenylene)bis-
CAS No: 848820-68-8 Catalog No: AG004QG0 MDL No:
Product Description
Catalog Number:
AG004QG0
Chemical Name:
Bicyclo[2.2.1]heptane, 2,2'-(2,4,6-trimethyl-1,3-phenylene)bis-
CAS Number:
848820-68-8
Molecular Formula:
C23H32
Molecular Weight:
308.5002
IUPAC Name:
2-[3-(2-bicyclo[2.2.1]heptanyl)-2,4,6-trimethylphenyl]bicyclo[2.2.1]heptane
InChI:
InChI=1S/C23H32/c1-13-8-14(2)23(21-12-17-5-7-19(21)10-17)15(3)22(13)20-11-16-4-6-18(20)9-16/h8,16-21H,4-7,9-12H2,1-3H3
InChI Key:
WXGPKOCAIREURK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1C1CC2CC1CC2)C)C1CC2CC1CC2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.25g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.509g/mol
Monoisotopic Mass:
308.25g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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