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| IUPAC Name: | methyl 4-methyl-3-oxopentanoate |
| Description: | Methyl 4-Methyl-3-oxopentanoate (CAS# 42558-54-3) is a starting material in the synthesis of 3-Hydroxy-4-methylpentanoic Acid (H947700), which is isolated from Turkish tobacco leaves. It can be used to prepare 1,3-Polyol arrays via stereoselective rearrangement. |
| Molecular Weight: | 144.17 |
| Molecular Formula: | C7H12O3 |
| Canonical SMILES: | CC(C)C(=O)CC(=O)OC |
| InChI: | InChI=1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3 |
| InChI Key: | HNNFDXWDCFCVDM-UHFFFAOYSA-N |
| Boiling Point: | 185.8 ℃ at 760 mmHg |
| Melting Point: | -75ºC |
| Flash Point: | 68.9ºC |
| Density: | 1.013 g/cm3 |
| Appearance: | Colorless to yellowish liquid |
| MDL: | MFCD00040499 |
| LogP: | 0.77460 |
| Refractive Index: | 1.4265 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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