5-Carboxyvanillic Acid

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Properties Simple | Detailed

Formula C9H8O6
IUPAC Name 4-hydroxy-5-methoxy-benzene-1,3-dicarboxylic acid
Molecular Mass 212.156 g·mol−1
Heat of Formation -1005.0 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 220.59 Å 3
Surface Area 214.95 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzenedicarboxylic acid, 4-hydroxy-5-methoxy-
  • 4-hydroxy-5-methoxy-1,3-benzenedicarboxylic acid
  • 4-hydroxy-5-methoxy-isophthalic acid
  • 4-hydroxy-5-methoxybenzene-1,3-dicarboxylic acid
  • 4-hydroxy-5-methoxyisophthalic acid
CAS Number(s)
  • 2134-91-0
InChIKey NLSSJYQPZIQJNC-UHFFFAOYSA-N
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