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128007-92-1 | 2H-Isoindole-2-propanoic acid, 5,5'-carbonylbis[1,3-dihydro-1,3-dioxo-
CAS No: 128007-92-1 Catalog No: AG000XP2 MDL No:
Product Description
Catalog Number:
AG000XP2
Chemical Name:
2H-Isoindole-2-propanoic acid, 5,5'-carbonylbis[1,3-dihydro-1,3-dioxo-
CAS Number:
128007-92-1
Molecular Formula:
C23H16N2O9
Molecular Weight:
464.3811
IUPAC Name:
3-[5-[2-(2-carboxyethyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]propanoic acid
InChI:
InChI=1S/C23H16N2O9/c26-17(27)5-7-24-20(31)13-3-1-11(9-15(13)22(24)33)19(30)12-2-4-14-16(10-12)23(34)25(21(14)32)8-6-18(28)29/h1-4,9-10H,5-8H2,(H,26,27)(H,28,29)
InChI Key:
JUYRTGDKVKKBGB-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1C(=O)c2c(C1=O)cc(cc2)C(=O)c1ccc2c(c1)C(=O)N(C2=O)CCC(=O)O
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.086g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
464.386g/mol
Monoisotopic Mass:
464.086g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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