Virstatin

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Properties Simple | Detailed

Formula C16H13NO4
IUPAC Name 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
Molecular Mass 283.279 g·mol−1
Heat of Formation -582.9 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 319.39 Å 3
Surface Area 291.49 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dioxo-1h-benz(de)isoquinoline-2(3h)-butanoic acid
  • 1,3-dioxo-1h-benz(de)isoquinoline-2(3h)-butyric acid
  • 1h-benz(de)isoquinoline-2(3h)-butanoic acid, 1,3-dioxo-
  • 4-(1,3-dioxo-1h,3h-benzo[de]isoquinolin-2-yl)-butyric acid
  • 4-(n-(1,8-naphthalimide))-n-butyric acid
  • bas 00114818
  • cbdive_001858
  • cbdive_003272
  • cbkinase1_000229
  • cbkinase1_012629
  • cbmicro_014897
  • isodibut
CAS Number(s)
  • 88909-96-0
InChIKey ZHXRDXTYPCPBTI-UHFFFAOYSA-N
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