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| IUPAC Name: | methyl 4-(4-hydroxybutyl)benzoate |
| Description: | 4-(4-Hydroxybutyl)benzoic Acid Methyl Ester is a benzoic acid derivative used in the preparation of yrrolo[2,3-d]pyrimidine-based antitumor agents as well as other biologically active compounds. |
| Molecular Weight: | 208.25 |
| Molecular Formula: | C12H16O3 |
| Canonical SMILES: | COC(=O)C1=CC=C(C=C1)CCCCO |
| InChI: | InChI=1S/C12H16O3/c1-15-12(14)11-7-5-10(6-8-11)4-2-3-9-13/h5-8,13H,2-4,9H2,1H3 |
| InChI Key: | KVKWRSNRAXOBFC-UHFFFAOYSA-N |
| Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Appearance: | Colourless to Light Yellow Oil |
| Storage: | Refrigerator |
| References: | Barnett, C.J. et al. Org. Proc. Res. Dev., 3, 184 (1999); Zhao, D. et al. Zhong. Yao. Huax. Zaz., 18, 445 (2008). |
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