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114731-67-8 | 1H-Isoindole-5-carboxylic acid, 2,2'-(2-methyl-1,4-phenylene)bis[2,3-dihydro-1,3-dioxo-
CAS No: 114731-67-8 Catalog No: AG000F45 MDL No:
Product Description
Catalog Number:
AG000F45
Chemical Name:
1H-Isoindole-5-carboxylic acid, 2,2'-(2-methyl-1,4-phenylene)bis[2,3-dihydro-1,3-dioxo-
CAS Number:
114731-67-8
Molecular Formula:
C25H14N2O8
Molecular Weight:
470.3873
IUPAC Name:
2-[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C25H14N2O8/c1-11-8-14(26-20(28)15-5-2-12(24(32)33)9-17(15)22(26)30)4-7-19(11)27-21(29)16-6-3-13(25(34)35)10-18(16)23(27)31/h2-10H,1H3,(H,32,33)(H,34,35)
InChI Key:
LTMLBTNDIHVVJN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)C)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Properties
Complexity:
994
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.075g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
470.393g/mol
Monoisotopic Mass:
470.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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