(2S,4E)-4-(2-Oxoethylidene)-1,2,3,4-Tetrahydro-2,6-Pyridinedicarboxylic Acid

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Properties Simple | Detailed

Formula C9H9NO5
IUPAC Name (2s,4e)-4-(2-oxoethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
Molecular Mass 211.171 g·mol−1
Heat of Formation -738.7 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 232.03 Å 3
Surface Area 225.78 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4e)-4-(2-ketoethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
  • (2s,4e)-4-(2-oxoethylidene)-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
  • betalamic acid
  • betalanic acid
CAS Number(s)
  • 18766-66-0
InChIKey YQDKULBMDMPFLH-FSRBREEPSA-N
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