4-{[(1,3-Dioxo-2,3-Dihydro-1H-Inden-5-Yl)Methyl]Amino}Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C17H13NO4
IUPAC Name 4-[(1,3-dioxoindan-5-yl)methylamino]benzoic acid
Molecular Mass 295.289 g·mol−1
Heat of Formation -443.9 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 335.86 Å 3
Surface Area 314.18 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(((1,3-benzodioxol)-5-yl)methyl)aminobenzoic acid
  • 4-[(1,3-diketoindan-5-yl)methylamino]benzoic acid
  • 4-[(1,3-dioxo-5-indanyl)methylamino]benzoic acid
  • 4-[(1,3-dioxoinden-5-yl)methylamino]benzoic acid
  • benzoic acid, 4-(((2,3-dihydro-1,3-dioxo-1h-inden-5-yl)methyl)amino)-
  • dl 040
  • dl-040
CAS Number(s)
  • 99208-92-1
InChIKey WIWILTAFJMWUBL-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N