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680576-18-5

680576-18-5 | Ethanedione, 1,1'-(2,5-dimethoxy-1,4-phenylene)bis[2-phenyl-

CAS No: 680576-18-5 Catalog No: AG006G9B MDL No:

Product Description

Catalog Number:
AG006G9B
Chemical Name:
Ethanedione, 1,1'-(2,5-dimethoxy-1,4-phenylene)bis[2-phenyl-
CAS Number:
680576-18-5
Molecular Formula:
C24H18O6
Molecular Weight:
402.3961
IUPAC Name:
1-[2,5-dimethoxy-4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione
InChI:
InChI=1S/C24H18O6/c1-29-19-13-18(24(28)22(26)16-11-7-4-8-12-16)20(30-2)14-17(19)23(27)21(25)15-9-5-3-6-10-15/h3-14H,1-2H3
InChI Key:
DEHUITFJFQKHDT-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1C(=O)C(=O)c1ccccc1)OC)C(=O)C(=O)c1ccccc1

Properties

Complexity:
588  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.11g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.402g/mol
Monoisotopic Mass:
402.11g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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