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181487-22-9 | 1,3-Isobenzofurandione, 5,5'-[1,5-naphthalenediylbis(oxy)]bis-
CAS No: 181487-22-9 Catalog No: AG0022WD MDL No:
Product Description
Catalog Number:
AG0022WD
Chemical Name:
1,3-Isobenzofurandione, 5,5'-[1,5-naphthalenediylbis(oxy)]bis-
CAS Number:
181487-22-9
Molecular Formula:
C26H12O8
Molecular Weight:
452.3687
IUPAC Name:
5-[5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]naphthalen-1-yl]oxy-2-benzofuran-1,3-dione
InChI:
InChI=1S/C26H12O8/c27-23-17-9-7-13(11-19(17)25(29)33-23)31-21-5-1-3-15-16(21)4-2-6-22(15)32-14-8-10-18-20(12-14)26(30)34-24(18)28/h1-12H
InChI Key:
VRUVHWBLNWEWGH-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(cc2)Oc1cccc2c1cccc2Oc1ccc2c(c1)C(=O)OC2=O
Properties
Complexity:
799
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.053g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.374g/mol
Monoisotopic Mass:
452.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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