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101992-47-6 | Ethanedione, 1,1'-[1,3-propanediylbis(oxy-4,1-phenylene)]bis[2-phenyl- (9CI)
CAS No: 101992-47-6 Catalog No: AG00067O MDL No:
Product Description
Catalog Number:
AG00067O
Chemical Name:
Ethanedione, 1,1'-[1,3-propanediylbis(oxy-4,1-phenylene)]bis[2-phenyl- (9CI)
CAS Number:
101992-47-6
Molecular Formula:
C31H24O6
Molecular Weight:
492.5187
IUPAC Name:
1-[4-[3-[4-(2-oxo-2-phenylacetyl)phenoxy]propoxy]phenyl]-2-phenylethane-1,2-dione
InChI:
InChI=1S/C31H24O6/c32-28(22-8-3-1-4-9-22)30(34)24-12-16-26(17-13-24)36-20-7-21-37-27-18-14-25(15-19-27)31(35)29(33)23-10-5-2-6-11-23/h1-6,8-19H,7,20-21H2
InChI Key:
XMDDWNFXHGBOCK-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccccc1)c1ccc(cc1)OCCCOc1ccc(cc1)C(=O)C(=O)c1ccccc1
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.157g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.527g/mol
Monoisotopic Mass:
492.157g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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