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| IUPAC Name: | 2-(4-methoxyphenyl)acetic acid |
| Description: | 4-Methoxyphenylacetic acid (CAS# 104-01-8) is a compound that was found from microbial phenolic metabolites in human feces after the consumption of gin, red wine and dealcholized red wine. |
| Molecular Weight: | 166.17 |
| Molecular Formula: | C9H10O3 |
| Canonical SMILES: | COC1=CC=C(C=C1)CC(=O)O |
| InChI: | InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChI Key: | NRPFNQUDKRYCNX-UHFFFAOYSA-N |
| Boiling Point: | 140 °C (3 mmHg) |
| Melting Point: | 84-88 °C |
| Purity: | 99 % |
| Density: | 1403 g/cm3 |
| Solubility: | 18 mg/mL |
| Appearance: | Pale yellow or off white colored flakes. severely irritates skin and eyes. may be toxic by ingestion. |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00004345 |
| LogP: | 1.32230 |
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Carbonyl Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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