| Formula | C13H15NO4 |
| MW | 249.27 |
| bulk_in | / |
| comment | nan |
| inchikey | OPKHMCBLQAHSEN-UHFFFAOYSA-N |
| literature | UNKNOWN |
| location | FKKT-HLAD_1 |
| mass | 387,0 |
| nmr_code | KT54383 |
| rack_code | NU00246861 |
| rack_number | 1 |
| rack_position | 1A1 |
| reasearcher | A._IVANCIC |
| research_group | SVETE |
| sample_state | TRUE_SAMPLE |
| smiles | CC(=O)C(C(C[N+]([O-])=O)C1=CC=CC=C1)C(C)=O |
| vial_code | NUJD034495 |
| vial_size | 1_mL |
| mw | 249.2625 |
| alogp | 1.2208 |
| hba | 2 |
| hbd | 0 |
| rb | 6 |
| heavyatomcount | 18 |
| chiralcentercount | 0 |
| chiralcentercountallpossible | 1 |
| ringcount | 1 |
| psa | 77.28 |
| estate | 53.167 |
| mr | 66.0869 |
| polar | 28.261 |
| canvasuid | 1 |