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| Name | 1,4-Dihydro-5H-Tetrazol-5-One |
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| Synonyms | 1,2-Dihydro-1,2,3,4-Tetrazol-5-One; 5-Hydroxytetrazole; 5H-Tetrazol-5-One, 1,4-Dihydro- |
| Molecular Structure |  |
| Molecular Formula | CH2N4O |
| Molecular Weight | 86.05 |
| CAS Registry Number | 16421-52-6 |
| SMILES | O=C1NNN=N1 |
| InChI | 1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6) |
| InChIKey | JXBKZAYVMSNKHA-UHFFFAOYSA-N |
| Density | 2.416g/cm3 (Cal.) |
|---|---|
| Boiling point | 437.8°C at 760 mmHg (Cal.) |
| Flash point | 218.6°C (Cal.) |
| (1) | Mark A. Spackman, Joshua J. McKinnon and Dylan Jayatilaka. Electrostatic potentials mapped on Hirshfeld surfaces provide direct insight into intermolecular interactions in crystals, CrystEngComm, 2008, 10, 377. |
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