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188578-95-2 | Methanone, [1,3-phenylenebis(methyleneoxy-4,1-phenylene)]bis[phenyl- (9CI)
CAS No: 188578-95-2 Catalog No: AG002H0B MDL No:
Product Description
Catalog Number:
AG002H0B
Chemical Name:
Methanone, [1,3-phenylenebis(methyleneoxy-4,1-phenylene)]bis[phenyl- (9CI)
CAS Number:
188578-95-2
Molecular Formula:
C34H26O4
Molecular Weight:
498.5678
IUPAC Name:
[4-[[3-[(4-benzoylphenoxy)methyl]phenyl]methoxy]phenyl]-phenylmethanone
InChI:
InChI=1S/C34H26O4/c35-33(27-10-3-1-4-11-27)29-14-18-31(19-15-29)37-23-25-8-7-9-26(22-25)24-38-32-20-16-30(17-21-32)34(36)28-12-5-2-6-13-28/h1-22H,23-24H2
InChI Key:
CDLINDAKCUHGNH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)OCc1cccc(c1)COc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
661
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.183g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.578g/mol
Monoisotopic Mass:
498.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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