2-Methyl-C-5-(4-(5-Methyl-2-(4-Methylphenyl)-4-Oxazolyl)Butyl)-1,3-Dioxane-R-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C21H27NO5
IUPAC Name 2-methyl-5-[4-[5-methyl-2-(p-tolyl)oxazol-4-yl]butyl]-1,3-dioxane-2-carboxylic acid
Molecular Mass 373.443 g·mol−1
Heat of Formation -807.5 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 461.09 Å 3
Surface Area 404.84 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey IMYPSTHZBIWMNA-OQIWPSSASA-N
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