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| IUPAC Name: | 9-oxofluorene-1-carboxylic acid |
| Description: | 9-Fluorenone-1-carboxylic acid (CAS# 1573-92-8) is an intermediate in synthesizing Fluoren-1-ol (F462450), a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population. |
| Molecular Weight: | 224.21 |
| Molecular Formula: | C14H8O3 |
| Canonical SMILES: | C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)C(=O)O |
| InChI: | InChI=1S/C14H8O3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7H,(H,16,17) |
| InChI Key: | CBEFMGJHEKAMNI-UHFFFAOYSA-N |
| Boiling Point: | 461.6 ℃ at 760 mmHg |
| Purity: | > 98.0 % (LC) (T) |
| Density: | 1.424 g/cm3 |
| Appearance: | Orange crystalline powder |
| MDL: | MFCD00011537 |
| LogP: | 2.59620 |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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