N-[(3S,4R)-6-Cyano-3-Hydroxy-2,2-Dimethyl-3,4-Dihydro-2H-Chromen-4-Yl]-N-Hydroxyacetamide

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Properties Simple | Detailed

Formula C14H16N2O4
IUPAC Name n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-hydroxy-acetamide
Molecular Mass 276.288 g·mol−1
Heat of Formation -448.0 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 324.69 Å 3
Surface Area 283.25 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(3s,4r)-(n-acetyl-n-hydroxy)amino-6-cyano-3,4-dihydro-2,2-dimethyl-2h-1-benzopyran-3-ol
  • acetamide, n-(6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2h-1-benzopyran-4-yl)-n-hydroxy-, (3s-trans)-
  • n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethyl-4-chromanyl]-n-hydroxyacetamide
  • n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-hydroxy-acetamide
  • n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl]-n-hydroxy-ethanamide
  • n-[(3s,4r)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl]-n-hydroxyacetamide
  • y 26763
  • y-26763
CAS Number(s)
  • 127408-31-5
InChIKey IWTCFIIOUXJOOV-OLZOCXBDSA-N
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