Plicatin B

Molecule SVG Image

Properties Simple | Detailed

Formula C15H18O3
IUPAC Name methyl (e)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate
Molecular Mass 246.302 g·mol−1
Heat of Formation -432.0 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 314.85 Å 3
Surface Area 296.35 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]acrylic acid methyl ester
  • (e)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid methyl ester
  • 2-propenoic acid, 3-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-, methyl ester, (e)-
  • methyl (e)-3-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-2-propenoate
  • methyl (e)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate
  • methyl 3-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-2-propenoate
CAS Number(s)
  • 72704-01-9
InChIKey LZEOAWXRNGQEHO-RMKNXTFCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O