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Home > Other Heterocycles > 656259-93-7
656259-93-7 | Bicyclo[2.2.1]heptane, 7,7-bis(4-methoxyphenyl)-1-phenyl-
CAS No: 656259-93-7 Catalog No: AG006Q8L MDL No:
Product Description
Catalog Number:
AG006Q8L
Chemical Name:
Bicyclo[2.2.1]heptane, 7,7-bis(4-methoxyphenyl)-1-phenyl-
CAS Number:
656259-93-7
Molecular Formula:
C27H28O2
Molecular Weight:
384.5100
IUPAC Name:
7,7-bis(4-methoxyphenyl)-1-phenylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C27H28O2/c1-28-24-12-8-21(9-13-24)27(22-10-14-25(29-2)15-11-22)23-16-18-26(27,19-17-23)20-6-4-3-5-7-20/h3-15,23H,16-19H2,1-2H3
InChI Key:
BMDQXMMWBACKMP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(C2CCC1(CC2)c1ccccc1)c1ccc(cc1)OC
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.209g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.519g/mol
Monoisotopic Mass:
384.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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