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| IUPAC Name: | 3-(4-hydroxy-3-methoxyphenyl)propanoic acid |
| Description: | 3-(4-Hydroxy-3-methoxyphenyl)propionic acid (CAS# 1135-23-5) is a very sensitive biomarker for the consumption of relatively small amount of coffee. |
| Molecular Weight: | 196.20 |
| Molecular Formula: | C10H12O4 |
| Canonical SMILES: | COC1=C(C=CC(=C1)CCC(=O)O)O |
| InChI: | InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) |
| InChI Key: | BOLQJTPHPSDZHR-UHFFFAOYSA-N |
| Boiling Point: | 376.5 °C at 760 mmHg |
| Melting Point: | 89-90 °C |
| Purity: | 95 % |
| MDL: | MFCD00016558 |
| LogP: | 1.41800 |
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2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
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