Homoisovanillic Acid

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Properties Simple | Detailed

Formula C9H10O4
IUPAC Name 2-(3-hydroxy-4-methoxy-phenyl)acetic acid
Molecular Mass 182.173 g·mol−1
Heat of Formation -648.8 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 212.56 Å 3
Surface Area 208.41 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-hydroxy-4-methoxy-phenyl)ethanoic acid
  • 2-(3-hydroxy-4-methoxyphenyl)acetic acid
  • 3-hydroxy-4-methoxybenzeneacetic acid
  • 4-methoxy-3-hydroxyphenylacetic acid
  • isohomovanillic acid
CAS Number(s)
  • 1131-94-8
InChIKey BWXLCOBSWMQCGP-UHFFFAOYSA-N
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Elements H C O