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| IUPAC Name: | methyl 2-methyl-3-oxo-3-phenylpropanoate |
| Description: | Methyl 2-Methyl-3-oxo-3-phenylpropanoate (CAS# 29540-54-3) is an intermediate in the synthesis of Pyrametostrobin (P847010), a novel fungicide. Also, it is derived from 1-Methyl-2-nitrobenzene (N572306), which is a toxic pollutant of the environment because of its large scale use in the production of explosives. It is a useful synthetic intermediate. It shows carcinogenic activity in rats. |
| Molecular Weight: | 192.21 |
| Molecular Formula: | C11H12O3 |
| Canonical SMILES: | CC(C(=O)C1=CC=CC=C1)C(=O)OC |
| InChI: | InChI=1S/C11H12O3/c1-8(11(13)14-2)10(12)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChI Key: | ZYGFNEGLHJHNOK-UHFFFAOYSA-N |
| MDL: | MFCD00956709 |
| LogP: | 1.67840 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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