4-Acetamido-3-Amino-5-Hydroxybenzoic Acid

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Properties Simple | Detailed

Formula C9H10N2O4
IUPAC Name 2-acetamido-3-azaniumyl-5-carboxy-phenolate
Molecular Mass 210.187 g·mol−1
Heat of Formation -660.7 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 237.5 Å 3
Surface Area 226.18 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-4-(acetylamino)-5-hydroxybenzoic acid
  • 4-(acetylamino)-5-amino-3-hydroxybenzoic acid
  • bana106
InChIKey CALDTVBHJMBRTM-UHFFFAOYSA-N
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