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| IUPAC Name: | 5-methoxy-1H-indole-2,3-dione |
| Description: | 5-Methoxyisatin (CAS# 39755-95-8) is used in the synthetic preparation and in the anticancer activity of carboxyethenyl isatin derivatives. 5-Methoxyisatin is also used in the 3D-QSAR analysis of anti-cancer agents by CoMFA and CoMSIA methods. |
| Molecular Weight: | 177.16 |
| Molecular Formula: | C9H7NO3 |
| Canonical SMILES: | COC1=CC2=C(C=C1)NC(=O)C2=O |
| InChI: | InChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12) |
| InChI Key: | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
| Density: | 1.346 g/cm3 |
| MDL: | MFCD00169023 |
| LogP: | 0.96800 |
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