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825633-33-8 | Ethanone, 1,1',1''-[1,3,5-benzenetriyltris(carbonyl-4,1-phenylene)]tris-
CAS No: 825633-33-8 Catalog No: AG004Y5M MDL No:
Product Description
Catalog Number:
AG004Y5M
Chemical Name:
Ethanone, 1,1',1''-[1,3,5-benzenetriyltris(carbonyl-4,1-phenylene)]tris-
CAS Number:
825633-33-8
Molecular Formula:
C33H24O6
Molecular Weight:
516.5401
IUPAC Name:
1-[4-[3,5-bis(4-acetylbenzoyl)benzoyl]phenyl]ethanone
InChI:
InChI=1S/C33H24O6/c1-19(34)22-4-10-25(11-5-22)31(37)28-16-29(32(38)26-12-6-23(7-13-26)20(2)35)18-30(17-28)33(39)27-14-8-24(9-15-27)21(3)36/h4-18H,1-3H3
InChI Key:
KAWGHMOGVXCZIH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)C)c1cc(cc(c1)C(=O)c1ccc(cc1)C(=O)C)C(=O)c1ccc(cc1)C(=O)C
Properties
Complexity:
821
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.157g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.549g/mol
Monoisotopic Mass:
516.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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