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87870-45-9 | 2,7-Octanedione, 3,4,5,6-tetraphenyl-
CAS No: 87870-45-9 Catalog No: AG004G4X MDL No:
Product Description
Catalog Number:
AG004G4X
Chemical Name:
2,7-Octanedione, 3,4,5,6-tetraphenyl-
CAS Number:
87870-45-9
Molecular Formula:
C32H30O2
Molecular Weight:
446.5794
IUPAC Name:
3,4,5,6-tetraphenyloctane-2,7-dione
InChI:
InChI=1S/C32H30O2/c1-23(33)29(25-15-7-3-8-16-25)31(27-19-11-5-12-20-27)32(28-21-13-6-14-22-28)30(24(2)34)26-17-9-4-10-18-26/h3-22,29-32H,1-2H3
InChI Key:
NDFKRRQNWZCWPX-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(C(C(c1ccccc1)C(=O)C)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.225g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.59g/mol
Monoisotopic Mass:
446.225g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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