(2Z)-3-Methoxy-5-Methyl-4-Oxo-2,5-Hexadienamide

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Properties Simple | Detailed

Formula C8H11NO3
IUPAC Name (2z)-3-methoxy-5-methyl-4-oxo-hexa-2,5-dienamide
Molecular Mass 169.178 g·mol−1
Heat of Formation -393.2 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 209.81 Å 3
Surface Area 205.49 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2z)-3-methoxy-5-methyl-4-oxo-hexa-2,5-dienamide
  • (2z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienamide
  • (2z)-4-keto-3-methoxy-5-methyl-hexa-2,5-dienamide
  • 2,5-hexadienamide, 3-methoxy-5-methyl-4-oxo-
  • penicillamide
CAS Number(s)
  • 34138-28-8
InChIKey QCTVONONPBVXMQ-XQRVVYSFSA-N
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