4-Hydroxy-3-Methoxy-5-(3-Methyl-2-Buten-1-Yl)Benzoic Acid

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Properties Simple | Detailed

Formula C13H16O4
IUPAC Name 4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)benzoic acid
Molecular Mass 236.264 g·mol−1
Heat of Formation -651.3 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 288.7 Å 3
Surface Area 274.46 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methoxy-4-hydroxy-5-(3'-methyl-2')butylenylbenzoic acid
  • benzoic acid, 4-hydroxy-3-methoxy-5-(3-methyl-2-butenyl)-
  • proglobeflowery acid
CAS Number(s)
  • 146367-85-3
InChIKey DWHDSRHHYMSXSP-UHFFFAOYSA-N
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