![methyl[?]dione structure](/static/products/5759/57595-35-4.webp)
methyl[?]dione
14-methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.02,6.02,7.06,11.08,10.012,16]hexadecane-13,15-dione
Also Known As: methyl[?]dione|Dehydroaflatoxin D1|2-methyl-hexahydro-6-oxa-2,3a,7c-triaza-4,4e-cyclo-cyclopent|14-Methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.0~2,6~.0~2,7~.0~6,11~.0~8,10~.0~12,16~]hexadecane-13,15-dione|14-Methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.02,6.02,7.06,11.08,10.012,16]hexadecane-13,15-dione|2-methyl-hexahydro-6-oxa-2,3a,7c-triaza-4,4e-cyclo-cyclopenta[1,3]cyclopropa[1,2-a]cyclopropa[cd]-as-indacene-1,3-dione
| Molecular Formula | C13H13N3O3 |
|---|---|
| Molecular Weight | 259.0957 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.0957 |
| Monoisotopic Mass | 259.0957 |
| Heavy Atoms | 19 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 57595-35-4 |
|---|---|
| SMILES | CN1C(=O)N2C3C4C5C4C(N2C1=O)C67C5C36COC7 |
| InChIKey | FWUYOYYYNCHIIG-UHFFFAOYSA-N |
Product Overview
methyl[?]dione (CAS 57595-35-4), with molecular formula C13H13N3O3 and molecular weight 259.0957 g/mol. IUPAC: 14-methyl-4-oxa-12,14,16-triazaheptacyclo[7.7.0.02,6.02,7.06,11.08,10.012,16]hexadecane-13,15-dione.
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