4-[2-(7-Methoxy-4,4-Dimethyl-1,3-Dioxo-3,4-Dihydro-2(1H)-Isoquinolinyl)Ethyl]Benzoic Acid

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Properties Simple | Detailed

Formula C21H21NO5
IUPAC Name 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-2-isoquinolyl)ethyl]benzoic acid
Molecular Mass 367.395 g·mol−1
Heat of Formation -767.6 ± 16.7 kJ·mol−1
Dipole Moment 8.14 ± 1.08 D
Volume 433.46 Å 3
Surface Area 375.45 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolyl)ethyl)benzoic acid
  • 4-[2-(1,3-diketo-7-methoxy-4,4-dimethyl-2-isoquinolyl)ethyl]benzoic acid
  • 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxo-isoquinolin-2-yl)ethyl]benzoic acid
  • 4-[2-(7-methoxy-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethyl]benzoic acid
  • benzoic acid, 4-(2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1h)-isoquinolinyl)ethyl)-
  • ul-df 9
  • ul-df-9
CAS Number(s)
  • 103625-42-9
InChIKey DLRFBVBVVYGSDO-UHFFFAOYSA-N
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