Methyl 3-(1-Methyl-4-(3-Methyl-2-Butenyl)-1H-Imidazol-5-Yl)Acrylate

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Properties Simple | Detailed

Formula C13H18N2O2
IUPAC Name methyl (e)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-3-ium-4-ylium-4-yl]prop-2-enoate
Molecular Mass 234.294 g·mol−1
Heat of Formation -208.5 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 307.17 Å 3
Surface Area 276.94 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[3-methyl-5-(3-methylbut-2-enyl)-4-imidazolyl]prop-2-enoic acid methyl ester
  • (e)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]acrylic acid methyl ester
  • 2-propenoic acid, 3-(1-methyl-4-(3-methyl-2-butenyl)-1h-imidazol-5-yl)-, methyl ester, (e)-
  • 3-(1-methyl-4-(3-methyl-2-butenyl)imidazol-5-yl)-2-propenoic acid methyl ester
  • 3-[3-methyl-5-(3-methylbut-2-enyl)-4-imidazolyl]prop-2-enoic acid methyl ester
  • 3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]acrylic acid methyl ester
  • methyl (e)-3-(1-methyl-4-(3-methyl-2-butenyl)-1h-imidazol-5-yl)-2-propenoate
  • methyl (e)-3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
  • methyl 3-[3-methyl-5-(3-methylbut-2-enyl)imidazol-4-yl]prop-2-enoate
  • visoltricin
CAS Number(s)
  • 139874-44-5
InChIKey LFPQYOYKAPGCGM-BQYQJAHWSA-N
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