methyl[?]dione structure

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-

CAS: 57595-34-3
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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