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| IUPAC Name: | heptanedioic acid |
| Description: | Pimelic acid (CAS# 111-16-0) is a metabolite found in four biofluids from dairy cows that may be used as biomarkers of milk. |
| Molecular Weight: | 160.17 |
| Molecular Formula: | C7H12O4 |
| Canonical SMILES: | C(CCC(=O)O)CCC(=O)O |
| InChI: | InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) |
| InChI Key: | WLJVNTCWHIRURA-UHFFFAOYSA-N |
| Boiling Point: | 212 °C (10 mmHg) |
| Melting Point: | 103-106 °C |
| Purity: | 95 % |
| Density: | 1.29 g/cm3 |
| Solubility: | 50.0 mg/mL |
| Appearance: | White crystal or crystal powder; |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00004425 |
| LogP: | 1.10610 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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