Alrestatin

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Properties Simple | Detailed

Formula C14H10NO4+
IUPAC Name 2-(1,3-dioxobenzo[de]isoquinolin-2-ium-2-yl)acetic acid
Molecular Mass 256.233 g·mol−1
Heat of Formation -525.0 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 274.58 Å 3
Surface Area 250.28 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -2.05 ± eV
Point Group Symmetry Cs
Synonyms
  • (1,3-dioxo-1h,3h-benzo[de]isoquinolin-2-yl)-acetic acid
  • (1,3-dioxo-1h-benzo[de]isoquinolin-2(3h)-yl)acetic acid
  • 1,3-dioxo-1h-benz(de)isoquinoline-2(3h)-acetate
  • 1,3-dioxo-1h-benz(de)isoquinoline-2(3h)-acetic acid
  • 1h-benz(de)isoquinoline-2(3h)-acetic acid, 1,3-dioxo-
  • 2,3-dihydro-1,3-dioxo-1h-benz(de)isochiolin-2-essigsaeure
  • af-399/32018005
  • alr
  • bas 00114817
  • bio2_000412
  • bio2_000892
  • cbdive_001884
  • cbdive_003810
  • cbdive_004382
  • kbioss_001929
  • tocris-0485
CAS Number(s)
  • 51411-04-2
InChIKey GCUCIFQCGJIRNT-UHFFFAOYSA-N
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