(2E)-2-(3,4-Dihydroxybenzoyl)-3-(2-Oxo-2,3-Dihydro-1,3-Benzoxazol-5-Yl)Acrylonitrile

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Properties Simple | Detailed

Formula C17H10N2O5
IUPAC Name (e)-2-(3,4-dihydroxybenzoyl)-3-(2-oxo-3h-1,3-benzoxazol-5-yl)prop-2-enenitrile
Molecular Mass 322.272 g·mol−1
Heat of Formation -377.5 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 356.48 Å 3
Surface Area 321.11 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-(3,4-dihydroxybenzoyl)-3-(2-keto-3h-1,3-benzoxazol-5-yl)acrylonitrile
  • (e)-2-(3,4-dihydroxybenzoyl)-3-(2-oxo-3h-1,3-benzoxazol-5-yl)prop-2-enenitrile
  • (e)-2-(3,4-dihydroxyphenyl)carbonyl-3-(2-oxo-3h-1,3-benzoxazol-5-yl)prop-2-enenitrile
  • (e)-2-[(3,4-dihydroxyphenyl)-oxomethyl]-3-(2-oxo-3h-1,3-benzoxazol-5-yl)prop-2-enenitrile
  • ag 2263
  • agl 2263
  • hsci1_000306
InChIKey IUGRBTCJEYEDIY-VZUCSPMQSA-N
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