3-[(Carboxymethyl)Sulfanyl]-2-Oxopropanoic Acid

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Properties Simple | Detailed

Formula C5H6O5S
IUPAC Name 3-(carboxymethylsulfanyl)-2-oxo-propanoic acid
Molecular Mass 178.163 g·mol−1
Heat of Formation -878.4 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 187.33 Å 3
Surface Area 183.36 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(carboxymethylsulfanyl)-2-oxopropanoic acid
  • 3-(carboxymethylthio)-2-keto-propionic acid
  • 3-(carboxymethylthio)-2-oxopropanoic acid
  • propanoic acid, 3-((carboxymethyl)thio)-2-oxo-
  • s-carboxymethyl-thiopyruvate
CAS Number(s)
  • 51783-05-2
InChIKey FDUKYMHTXNDQPD-UHFFFAOYSA-N
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