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| IUPAC Name: | 3-(3,5-dimethoxyphenyl)propanoic acid |
| Description: | 3-(3,5-Dimethoxyphenyl)propionic Acid (CAS# 717-94-2) is a derivative of 3-(3,4-Dimethoxyphenyl)propanoic Acid (D460730), which is one of the novel circulating coffee metabolites in human plasma. |
| Molecular Weight: | 210.23 |
| Molecular Formula: | C11H14O4 |
| Canonical SMILES: | COC1=CC(=CC(=C1)CCC(=O)O)OC |
| InChI: | InChI=1S/C11H14O4/c1-14-9-5-8(3-4-11(12)13)6-10(7-9)15-2/h5-7H,3-4H2,1-2H3,(H,12,13) |
| InChI Key: | LMBOJOXVLORKSQ-UHFFFAOYSA-N |
| Boiling Point: | 175 °C / 1 mmHg |
| Density: | 1.159 g/cm3 |
| MDL: | MFCD03425685 |
| LogP: | 1.72100 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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