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Home > Indoles and Oxindole > 139087-88-0
139087-88-0 | 1H-Isoindole-1,3(2H)-dione, 5,5'-carbonylbis[2-(2-acetylphenyl)- (9CI)
CAS No: 139087-88-0 Catalog No: AG001A82 MDL No:
Product Description
Catalog Number:
AG001A82
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5,5'-carbonylbis[2-(2-acetylphenyl)- (9CI)
CAS Number:
139087-88-0
Molecular Formula:
C33H20N2O7
Molecular Weight:
556.5211
IUPAC Name:
2-(2-acetylphenyl)-5-[2-(2-acetylphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
InChI:
InChI=1S/C33H20N2O7/c1-17(36)21-7-3-5-9-27(21)34-30(39)23-13-11-19(15-25(23)32(34)41)29(38)20-12-14-24-26(16-20)33(42)35(31(24)40)28-10-6-4-8-22(28)18(2)37/h3-16H,1-2H3
InChI Key:
XSPJKHLPNGJVHA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccccc1C(=O)C)c1ccc2c(c1)C(=O)N(C2=O)c1ccccc1C(=O)C
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.127g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
556.53g/mol
Monoisotopic Mass:
556.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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