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179807-41-1 | 1,3-Isobenzofurandione, 5,5'-[[1,1'-binaphthalene]-2,2'-diylbis(oxy)]bis-
CAS No: 179807-41-1 Catalog No: AG00279K MDL No:
Product Description
Catalog Number:
AG00279K
Chemical Name:
1,3-Isobenzofurandione, 5,5'-[[1,1'-binaphthalene]-2,2'-diylbis(oxy)]bis-
CAS Number:
179807-41-1
Molecular Formula:
C36H18O8
Molecular Weight:
578.5233
IUPAC Name:
5-[1-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]naphthalen-1-yl]naphthalen-2-yl]oxy-2-benzofuran-1,3-dione
InChI:
InChI=1S/C36H18O8/c37-33-25-13-11-21(17-27(25)35(39)43-33)41-29-15-9-19-5-1-3-7-23(19)31(29)32-24-8-4-2-6-20(24)10-16-30(32)42-22-12-14-26-28(18-22)36(40)44-34(26)38/h1-18H
InChI Key:
WRLFSLCHNUDMCG-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(cc2)Oc1ccc2c(c1c1c(ccc3c1cccc3)Oc1ccc3c(c1)C(=O)OC3=O)cccc2
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
578.1g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
578.532g/mol
Monoisotopic Mass:
578.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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