CBMicro_000742
3-[2-(3-carboxy-2-methylphenyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]-2-methylbenzoic acid
Also Known As: CBMicro_000742|Oprea1_263537|BIM-0000883.P001|AG-205/11944006|SR-01000431000-1|3,3'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis(2-methylbenzoic acid)|3,3'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6-diyl)bis(2-methylbenzoic acid)|3,3'-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindole-2,6(1H,3H,5H,7H)-diyl)bis(2-methylbenzoic acid)|3-(6-(3-carboxy-2-methylphenyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl)-2-methylbenzoic acid|3-[2-(3-carboxy-2-methylphenyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]-2-methylbenzoic acid|3-[6-(3-CARBOXY-2-METHYLPHENYL)-1,3,5,7-TETRAOXO-1H,2H,3H,5H,6H,7H-PYRROLO[3,4-F]ISOINDOL-2-YL]-2-METHYLBENZOIC ACID
| Molecular Formula | C26H16N2O8 |
|---|---|
| Molecular Weight | 484.09067 g/mol |
| LogP | 1.90404 |
| Topological Polar Surface Area | 152.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.09067 |
| Monoisotopic Mass | 484.09067 |
| Heavy Atoms | 36 |
| Complexity | 1782.2528 |
Chemical Identifiers
| CAS Number | 294875-27-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)C5=CC=CC(=C5C)C(=O)O)C(=O)O |
Product Overview
CBMicro_000742 (CAS 294875-27-7), with molecular formula C26H16N2O8 and molecular weight 484.09067 g/mol. IUPAC: 3-[2-(3-carboxy-2-methylphenyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]-2-methylbenzoic acid.