({2-[(4E)-4-(Ethoxymethylene)-5-Oxo-4,5-Dihydro-1,3-Oxazol-2-Yl]Phenyl}Sulfanyl)Acetic Acid

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Properties Simple | Detailed

Formula C14H13NO5S
IUPAC Name 2-[2-[(4e)-4-(ethoxymethylene)-5-oxo-oxazol-2-yl]phenyl]sulfanylacetic acid
Molecular Mass 307.322 g·mol−1
Heat of Formation -604.6 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 341.8 Å 3
Surface Area 313.18 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(4e)-4-(ethoxymethylene)-5-oxo-oxazol-2-yl]phenyl]sulfanylacetic acid
  • 2-[2-[(4e)-4-(ethoxymethylidene)-5-oxo-1,3-oxazol-2-yl]phenyl]sulfanylacetic acid
  • 2-[2-[(4e)-4-(ethoxymethylidene)-5-oxo-1,3-oxazol-2-yl]phenyl]sulfanylethanoic acid
  • 2-[[2-[(4e)-4-(ethoxymethylene)-5-keto-oxazol-2-yl]phenyl]thio]acetic acid
  • 2-[[2-[(4e)-4-(ethoxymethylene)-5-oxo-2-oxazolyl]phenyl]thio]acetic acid
  • 5(4h)-oxazolone, 4-(ethoxymethylene)-2-phenyl-, mono((carboxymethyl)thio) deriv.
  • oxazolone thioglycolic acid
  • oxazolone-thioglycollic acid
CAS Number(s)
  • 77035-70-2
InChIKey NJJYUEDGCZBRCS-JXMROGBWSA-N
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