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116680-93-4

116680-93-4 | 3,6-Octanedione, 4,5-dibenzoyl-2,2,7,7-tetramethyl-

CAS No: 116680-93-4 Catalog No: AG000D03 MDL No:

Product Description

Catalog Number:
AG000D03
Chemical Name:
3,6-Octanedione, 4,5-dibenzoyl-2,2,7,7-tetramethyl-
CAS Number:
116680-93-4
Molecular Formula:
C26H30O4
Molecular Weight:
406.5140
IUPAC Name:
4,5-dibenzoyl-2,2,7,7-tetramethyloctane-3,6-dione
InChI:
InChI=1S/C26H30O4/c1-25(2,3)23(29)19(21(27)17-13-9-7-10-14-17)20(24(30)26(4,5)6)22(28)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3
InChI Key:
JKDULIFLHUOCIN-UHFFFAOYSA-N
SMILES:
O=C(C(C(=O)C(C)(C)C)C(C(=O)C(C)(C)C)C(=O)c1ccccc1)c1ccccc1

Properties

Complexity:
592  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.214g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.522g/mol
Monoisotopic Mass:
406.214g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

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