(3E,5Z)-5-(Hydroxymethylene)-2-Oxo-3-Heptenedioic Acid

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Properties Simple | Detailed

Formula C8H8O6
IUPAC Name (e,5z)-5-(hydroxymethylene)-2-oxo-hept-3-enedioic acid
Molecular Mass 200.146 g·mol−1
Heat of Formation -961.1 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 223.03 Å 3
Surface Area 221.23 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-(hydroxymethylene)-2-keto-hept-3-enedioic acid
  • (5z)-5-(hydroxymethylene)-2-oxo-hept-3-enedioic acid
  • (5z)-5-(hydroxymethylene)-2-oxohept-3-enedioic acid
  • (5z)-5-(hydroxymethylidene)-2-oxo-hept-3-enedioic acid
  • (5z)-5-(hydroxymethylidene)-2-oxohept-3-enedioic acid
  • (e,5z)-5-(hydroxymethylene)-2-keto-hept-3-enedioic acid
  • (e,5z)-5-(hydroxymethylene)-2-oxo-hept-3-enedioic acid
  • (e,5z)-5-(hydroxymethylene)-2-oxohept-3-enedioic acid
  • (e,5z)-5-(hydroxymethylidene)-2-oxo-hept-3-enedioic acid
  • (e,5z)-5-(hydroxymethylidene)-2-oxohept-3-enedioic acid
  • 2-hydroxy-5-carboxymethyl-cis,cis-muconate 6-semialdehyde
  • 2-hydroxy-5-carboxymethylmuconate 6-semialdehyde
  • 2-hydroxy-5-carboxymethylmuconate semialdehyde
  • 5-(hydroxymethylene)-2-keto-hept-3-enedioic acid
  • 5-(hydroxymethylene)-2-oxo-hept-3-enedioic acid
  • 5-(hydroxymethylene)-2-oxohept-3-enedioic acid
  • 5-(hydroxymethylidene)-2-oxo-hept-3-enedioic acid
  • 5-(hydroxymethylidene)-2-oxohept-3-enedioic acid
  • 5-carboxymethyl-2-hydroxymuconate 6-semialdehyde
  • 5-carboxymethyl-2-hydroxymuconate semialdehyde
  • 5-formyl-2-hydroxy-2,4-heptadienedioic acid
  • 5-formyl-2-hydroxyhepta-2,4-dienedioic acid
  • carboxymethyl-a-hydroxymuconic semialdehyde, 0-
  • chmsa
  • cmhms
  • cpd-783
  • delta-carboxymethyl-alpha-hydroxymuconic semialdehyde
  • trans,cis-5-carboxymethyl-2-hydroxymuconate semialdehyde
CAS Number(s)
  • 2461-62-3
InChIKey JCYNPXMAUUAOMA-PMRVSPHWSA-N
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