3-Azido-4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-Tetramethyl-2-Naphthalenyl)-1-Propen-1-Yl)Benzoic Acid

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Formula C24H27N3O2
IUPAC Name 3-azido-4-[(e)-2-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]benzoic acid
Molecular Mass 389.490 g·mol−1
Heat of Formation -20.7 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 490.83 Å 3
Surface Area 396.43 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 3-attnpb
  • 3-azido-4-[(e)-2-(1,1,4,4-tetramethyl-6-tetralinyl)prop-1-enyl]benzoic acid
  • 3-azido-4-[(e)-2-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]benzoic acid
  • 3-azido-4-[(e)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
  • benzoic acid, 3-azido-4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)-, (e)-
CAS Number(s)
  • 131206-61-6
InChIKey BFJIRSSLRJYNHN-NTCAYCPXSA-N
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