Pinoxaden

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Properties Simple | Detailed

Formula C23H32N2O4
IUPAC Name [8-(2,6-diethyl-4-methyl-phenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-6,10-diium-9-yl] 2,2-dimethylpropanoate
Molecular Mass 400.511 g·mol−1
Heat of Formation -644.1 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 502.41 Å 3
Surface Area 370.84 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[2,1-d][1,4,5]oxadiazepin-9-yl] ester
  • 2,2-dimethylpropionic acid [8-(2,6-diethyl-4-methyl-phenyl)-7-keto-1,2,4,5-tetrahydropyrazolo[2,1-d][1,4,5]oxadiazepin-9-yl] ester
  • [8-(2,6-diethyl-4-methyl-phenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[2,1-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate
  • [8-(2,6-diethyl-4-methylphenyl)-7-oxo-1,2,4,5-tetrahydropyrazolo[2,1-d][1,4,5]oxadiazepin-9-yl] 2,2-dimethylpropanoate
  • pinoxaden [iso]
  • propanoic acid, 2,2-dimethyl-, 8-(2,6-diethyl-4-methylphenyl)-1,2,4,5-tetrahydro-7-oxo-7h-pyrazolo(1,2-d)(1,4,5)oxadiazepin-9-yl ester
CAS Number(s)
  • 243973-20-8
InChIKey MGOHCFMYLBAPRN-UHFFFAOYSA-N
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