2-Acetoxy-5-[(3-Carboxypropanoyl)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C13H13NO7
IUPAC Name 2-acetoxy-5-(3-carboxypropanoylamino)benzoic acid
Molecular Mass 295.245 g·mol−1
Heat of Formation -1234.1 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 322.88 Å 3
Surface Area 302.29 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetoxy-5-[(4-hydroxy-1,4-dioxobutyl)amino]benzoic acid
  • 2-acetoxy-5-[(4-hydroxy-4-keto-butanoyl)amino]benzoic acid
  • 2-acetoxy-5-[(4-hydroxy-4-oxo-butanoyl)amino]benzoic acid
  • 2-acetyloxy-5-[(4-hydroxy-4-oxo-butanoyl)amino]benzoic acid
  • 2-acetyloxy-5-[(4-hydroxy-4-oxobutanoyl)amino]benzoic acid
  • 5-n-succinylamino aspirin
  • benzoic acid, 2-(acetyloxy)-5-((3-carboxy-1-oxopropyl)amino)-
  • succinylamino aspirin
CAS Number(s)
  • 80434-80-6
InChIKey VFDVUQIMTFIYKU-UHFFFAOYSA-N
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