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Home > Other Heterocycles > 651043-15-1
651043-15-1 | Bicyclo[2.2.1]heptan-7-one, 1,4-dimethyl-2,3,5,6-tetraphenyl-
CAS No: 651043-15-1 Catalog No: AG006SLG MDL No:
Product Description
Catalog Number:
AG006SLG
Chemical Name:
Bicyclo[2.2.1]heptan-7-one, 1,4-dimethyl-2,3,5,6-tetraphenyl-
CAS Number:
651043-15-1
Molecular Formula:
C33H30O
Molecular Weight:
442.5907
IUPAC Name:
1,4-dimethyl-2,3,5,6-tetraphenylbicyclo[2.2.1]heptan-7-one
InChI:
InChI=1S/C33H30O/c1-32-27(23-15-7-3-8-16-23)29(25-19-11-5-12-20-25)33(2,31(32)34)30(26-21-13-6-14-22-26)28(32)24-17-9-4-10-18-24/h3-22,27-30H,1-2H3
InChI Key:
MVRHWUIRWXCFQN-UHFFFAOYSA-N
SMILES:
O=C1C2(C)C(C(C1(C)C(C2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.23g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.602g/mol
Monoisotopic Mass:
442.23g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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