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| IUPAC Name: | methyl 3-cyanobenzoate |
| Description: | Methyl 3-Cyanobenzoate (CAS# 13531-48-1) is an intermediate for the synthesis of 3-Carbamoylbenzoic Acid Derivatives as Inhibitors of Human Apurinic/Apyrimidinic Endonuclease 1 (APE1). It can also be used for the preparation of 3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic Acid Sodium Salt (F596070). |
| Molecular Weight: | 161.16 |
| Molecular Formula: | C9H7NO2 |
| Canonical SMILES: | COC(=O)C1=CC=CC(=C1)C#N |
| InChI: | InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3 |
| InChI Key: | XPBHWSMZTSSEJE-UHFFFAOYSA-N |
| Boiling Point: | 267.2 °C at 760 mmHg |
| Density: | 1.18 g/cm3 |
| Storage: | Sealed in dry, Room Temperature |
| MDL: | MFCD00220156 |
| LogP: | 1.34488 |
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Carbonyl Compounds
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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