2-(5-Hydroxy-1,4-Dioxo-1,4-Dihydro-2-Naphthalenyl)-3-Methoxy-5-Methylbenzoic Acid

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Properties Simple | Detailed

Formula C19H14O6
IUPAC Name 2-(5-hydroxy-1,4-dioxo-2-naphthyl)-3-methoxy-5-methyl-benzoic acid
Molecular Mass 338.311 g·mol−1
Heat of Formation -735.5 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 371.82 Å 3
Surface Area 318.71 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid
  • 2-(5-hydroxy-1,4-diketo-2-naphthyl)-3-methoxy-5-methyl-benzoic acid
  • 2-(5-hydroxy-1,4-dioxo-2-naphthyl)-3-methoxy-5-methylbenzoic acid
  • 2-(5-hydroxy-1,4-dioxo-naphthalen-2-yl)-3-methoxy-5-methyl-benzoic acid
  • 2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
  • antibiotic ws 5995b
  • benzoic acid, 2-(1,4-dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methyl-
  • ws-5995 b
  • ws-5995b
CAS Number(s)
  • 76191-52-1
InChIKey SFCJKMQKLHNLCX-UHFFFAOYSA-N
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