methyl[?]dione
14-methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.02,6.02,8.06,11.07,10.012,16]hexadecane-13,15-dione
Also Known As: methyl[?]dione|6H-1,6,2,5a-Ethanediylidene-2H,3H,5H,8H-cyclobuta(c)furo(3,4-d)(1,2,4)triazolo(1,2-a)pyridazine -8,10(9H)-dione, dihydro-9-methyl-|6H-1,2,5a-Ethanediylidene-2H,3H,5H,8H-cyclobuta[c]furo [3,4-d][1,2,4]triazolo[1,2-a]pyridazine-8,10(9H)-dione, dihydro-9-methyl-|6H-1,6,2,5a-Ethanediylidene-2H,3H,5H,8H-cyclobuta(c)furo(3,4-d)(1,2,4)triazolo(1,2-a)pyridazine-8,10(9H)-dione, dihydro-9-methyl-|6H-1,6,2,5a-Ethanediylidene-2H,3H,5H,8H-cyclobuta[c]furo[3,4-d][1,2,4]triazolo[1,2-a]pyridazine -8,10(9H)-dione, dihydro-9-methyl-
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.0957 g/mol |
| LogP | -1.0335 |
| Topological Polar Surface Area | 58.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.0957 |
| Monoisotopic Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 767.667 |
Chemical Identifiers
| CAS Number | 57595-34-3 |
|---|---|
| SMILES | CN1C(=O)N2C3C4C5C6C4C37C6(C5N2C1=O)COC7 |
Product Overview
methyl[?]dione (CAS 57595-34-3), with molecular formula C13H13N3O3 and molecular weight 259.0957 g/mol. IUPAC: 14-methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.02,6.02,8.06,11.07,10.012,16]hexadecane-13,15-dione.
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