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101992-41-0 | Ethanedione, 1,1'-[1,6-hexanediylbis(oxy-4,1-phenylene)]bis[2-phenyl- (9CI)
CAS No: 101992-41-0 Catalog No: AG00067P MDL No:
Product Description
Catalog Number:
AG00067P
Chemical Name:
Ethanedione, 1,1'-[1,6-hexanediylbis(oxy-4,1-phenylene)]bis[2-phenyl- (9CI)
CAS Number:
101992-41-0
Molecular Formula:
C34H30O6
Molecular Weight:
534.5984
IUPAC Name:
1-[4-[6-[4-(2-oxo-2-phenylacetyl)phenoxy]hexoxy]phenyl]-2-phenylethane-1,2-dione
InChI:
InChI=1S/C34H30O6/c35-31(25-11-5-3-6-12-25)33(37)27-15-19-29(20-16-27)39-23-9-1-2-10-24-40-30-21-17-28(18-22-30)34(38)32(36)26-13-7-4-8-14-26/h3-8,11-22H,1-2,9-10,23-24H2
InChI Key:
SWYBIXKKXYONTB-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccccc1)c1ccc(cc1)OCCCCCCOc1ccc(cc1)C(=O)C(=O)c1ccccc1
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.204g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
534.608g/mol
Monoisotopic Mass:
534.204g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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