Aduncumene

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Properties Simple | Detailed

Formula C14H16O4
IUPAC Name methyl 2-methoxy-5-(3-methylbut-2-enoyl)benzoate
Molecular Mass 248.274 g·mol−1
Heat of Formation -575.5 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 300.83 Å 3
Surface Area 283.73 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methoxy-5-(3-methyl-1-oxobut-2-enyl)benzoic acid methyl ester
  • 2-methoxy-5-(3-methylbut-2-enoyl)benzoic acid methyl ester
InChIKey PHPCTTJFNKISSP-UHFFFAOYSA-N
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Elements H C O