4-(3,4-Dihydroxyphenyl)-6,7-Dihydroxy-2-Naphthoic Acid

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Properties Simple | Detailed

Formula C17H12O6
IUPAC Name 4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-naphthalene-2-carboxylic acid
Molecular Mass 312.274 g·mol−1
Heat of Formation -844.7 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 338.62 Å 3
Surface Area 307.95 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy)phenylnaphthalene
  • 4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-2-naphthalenecarboxylic acid
  • 4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid
  • ks iv
CAS Number(s)
  • 121242-02-2
InChIKey ZSKDVJYWOHBGNI-UHFFFAOYSA-N
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