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106010-54-2 | 1H-Isoindole-1,3(2H)-dione, 2,2'-(1,3-phenylene)bis[5-hydroxy-
CAS No: 106010-54-2 Catalog No: AG007W1P MDL No:
Product Description
Catalog Number:
AG007W1P
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-(1,3-phenylene)bis[5-hydroxy-
CAS Number:
106010-54-2
Molecular Formula:
C22H12N2O6
Molecular Weight:
400.3405
IUPAC Name:
5-hydroxy-2-[3-(5-hydroxy-1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
InChI:
InChI=1S/C22H12N2O6/c25-13-4-6-15-17(9-13)21(29)23(19(15)27)11-2-1-3-12(8-11)24-20(28)16-7-5-14(26)10-18(16)22(24)30/h1-10,25-26H
InChI Key:
NBTNLNPYBFYPDS-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)O
Properties
Complexity:
722
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.07g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
400.346g/mol
Monoisotopic Mass:
400.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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