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87894-12-0 | Methanone, [2,4-bis(2-methylphenyl)-1,3-cyclobutanediyl]bis[phenyl-
CAS No: 87894-12-0 Catalog No: AG004E3R MDL No:
Product Description
Catalog Number:
AG004E3R
Chemical Name:
Methanone, [2,4-bis(2-methylphenyl)-1,3-cyclobutanediyl]bis[phenyl-
CAS Number:
87894-12-0
Molecular Formula:
C32H28O2
Molecular Weight:
444.5635
IUPAC Name:
[3-benzoyl-2,4-bis(2-methylphenyl)cyclobutyl]-phenylmethanone
InChI:
InChI=1S/C32H28O2/c1-21-13-9-11-19-25(21)27-29(31(33)23-15-5-3-6-16-23)28(26-20-12-10-14-22(26)2)30(27)32(34)24-17-7-4-8-18-24/h3-20,27-30H,1-2H3
InChI Key:
KWOQHELIICJIGB-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C1C(C(=O)c2ccccc2)C(C1C(=O)c1ccccc1)c1ccccc1C
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.209g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.574g/mol
Monoisotopic Mass:
444.209g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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