(2E)-3-(4-{(E)-2-[7-(Dimethylamino)-2-Oxo-2H-1,4-Benzoxazin-3-Yl]Vinyl}Phenyl)Acrylic Acid

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Properties Simple | Detailed

Formula C21H18N2O4
IUPAC Name (e)-3-[4-[(e)-2-[7-(dimethylamino)-2-oxo-1,4-benzoxazin-3-yl]vinyl]phenyl]prop-2-enoic acid
Molecular Mass 362.379 g·mol−1
Heat of Formation -266.3 ± 16.7 kJ·mol−1
Dipole Moment 8.71 ± 1.08 D
Volume 422.88 Å 3
Surface Area 393.03 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-[(e)-2-(7-dimethylamino-2-keto-1,4-benzoxazin-3-yl)vinyl]phenyl]acrylic acid
  • (e)-3-[4-[(e)-2-(7-dimethylamino-2-oxo-1,4-benzoxazin-3-yl)vinyl]phenyl]prop-2-enoic acid
  • 2-propenoic acid, 3-(4-(2-(7-(dimethylamino)-2-oxo-2h-1,4-benzoxazin-3-yl)ethenyl)phenyl)-
  • 4-(beta-(7-dimethylamino-1,4-benzoxazin-2-one-3-yl)vinyl)phenylpropenoic acid
  • 4-bvc
CAS Number(s)
  • 126959-78-2
InChIKey IBKDGFLXNQKJGK-SMTGYRLFSA-N
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