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18959-92-7 | 1,3-Isobenzofurandione, 5,5'-[1,3-phenylenebis(oxy)]bis-
CAS No: 18959-92-7 Catalog No: AG002DSC MDL No:
Product Description
Catalog Number:
AG002DSC
Chemical Name:
1,3-Isobenzofurandione, 5,5'-[1,3-phenylenebis(oxy)]bis-
CAS Number:
18959-92-7
Molecular Formula:
C22H10O8
Molecular Weight:
402.3100
IUPAC Name:
5-[3-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione
InChI:
InChI=1S/C22H10O8/c23-19-15-6-4-13(9-17(15)21(25)29-19)27-11-2-1-3-12(8-11)28-14-5-7-16-18(10-14)22(26)30-20(16)24/h1-10H
InChI Key:
ONEMZCBKPSBQJO-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(cc2)Oc1cccc(c1)Oc1ccc2c(c1)C(=O)OC2=O
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.038g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.314g/mol
Monoisotopic Mass:
402.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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