Methyl (2'E)-2'-(6-Oxo-2,4-Cyclohexadien-1-Ylidene)-2',3'-Dihydro-2,4'-Bi-1,3-Benzoxazole-4-Carboxylate

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Properties Simple | Detailed

Formula C22H14N2O5
IUPAC Name methyl 2-[(2e)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
Molecular Mass 386.357 g·mol−1
Heat of Formation -257.2 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 416.53 Å 3
Surface Area 377.71 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry Cs
Synonyms
  • (2,4'-bibenzoxazole)-4-carboxylic acid, 2'-(2-hydroxyphenyl)-, methyl ester
  • 2-[(2e)-2-(6-keto-1-cyclohexa-2,4-dienylidene)-3h-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid methyl ester
  • 2-[(2e)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3h-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid methyl ester
  • methyl 2'-(2-hydroxyphenyl)-(2,4'-bibenzoxazole)-4-carboxylate
  • methyl 2-[(2e)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3h-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylate
  • uk 1
  • uk-1
CAS Number(s)
  • 151271-53-3
InChIKey KHQWPXPNDALATG-UDWIEESQSA-N
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