4-Methyl-2-Oxo-2H-Chromen-7-Yl Octanoate

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Properties Simple | Detailed

Formula C18H22O4
IUPAC Name (4-methyl-2-oxo-chromen-7-yl) octanoate
Molecular Mass 302.365 g·mol−1
Heat of Formation -688.7 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 377.91 Å 3
Surface Area 357.62 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (4-methyl-2-oxochromen-7-yl) octanoate
  • 4-methylumbelliferyl caprylate
  • 4-methylumbelliferyl octanoate
  • ao-548/41203646
  • caprylic acid (2-keto-4-methyl-chromen-7-yl) ester
  • mucap
  • octanoic acid (4-methyl-2-oxo-7-chromenyl) ester
  • octanoic acid, 4-methyl-2-oxo-2h-1-benzopyran-7-yl ester
CAS Number(s)
  • 20671-66-3
InChIKey WZEWYQWWSCVHCP-UHFFFAOYSA-N
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