Ethyl (3R)-4-Cyano-3-Hydroxybutanoate

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Properties Simple | Detailed

Formula C7H11NO3
IUPAC Name ethyl (3r)-4-cyano-3-hydroxy-butanoate
Molecular Mass 157.167 g·mol−1
Heat of Formation -511.0 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 199.71 Å 3
Surface Area 202.41 Å 2
HOMO Energy -11.07 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-4-cyano-3-hydroxy-butyric acid ethyl ester
  • (3r)-4-cyano-3-hydroxybutanoic acid ethyl ester
  • (r)-(−)-ethyl 4-cyano-3-hydroxybutyrate
  • ethyl (3r)-4-cyano-3-hydroxy-butanoate
  • ethyl (r)-(−)-4-cyano-3-hydroxybutyrate
CAS Number(s)
  • 141942-85-0
InChIKey LOQFROBMBSKWQY-ZCFIWIBFSA-N
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