(2S)-2-Pentanyl (2E)-3-(3,4-Dihydroxyphenyl)Acrylate

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Properties Simple | Detailed

Formula C14H18O4
IUPAC Name [(1s)-1-methylbutyl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 250.290 g·mol−1
Heat of Formation -661.8 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 313.67 Å 3
Surface Area 300.86 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey AGXDVPULWUXVDT-PCGIRMHASA-N
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