Damascenine

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Properties Simple | Detailed

Formula C10H13NO3
IUPAC Name methyl 3-methoxy-2-(methylamino)benzoate
Molecular Mass 195.215 g·mol−1
Heat of Formation -415.8 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 234.89 Å 3
Surface Area 225.82 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methoxy-2-(methylamino)benzoic acid methyl ester
  • 3-methoxy-2-methylamino-benzoic acid methyl ester
  • 3-methoxy-2-methylaminobenzoic acid methyl ester
  • benzoic acid, 3-methoxy-2-(methylamino)-, methyl ester
  • methyl 3-methoxy-2-methylamino-benzoate
  • methyl 3-methoxy-2-methylaminobenzoate
  • nigelline
InChIKey ZRWJIZYZTLTXJI-UHFFFAOYSA-N
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