5-Methyl-1,2-Oxazole-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C5H5NO3
IUPAC Name 5-methylisoxazole-3-carboxylic acid
Molecular Mass 127.098 g·mol−1
Heat of Formation -291.9 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 139.67 Å 3
Surface Area 150.65 Å 2
HOMO Energy -10.54 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methyl-5-isoxazolecarboxylic acid
  • 3-methylisoxazole-5-carboxylic acid
  • 5-methyl-3-isoxazolecarboxylic acid
CAS Number(s)
  • 3405-77-4
InChIKey BNMPIJWVMVNSRD-UHFFFAOYSA-N
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