(2R,3R)-3-[(1R)-1-Hydroxyhexyl]-2-Oxiranecarbaldehyde

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Properties Simple | Detailed

Formula C9H16O3
IUPAC Name (2r,3r)-3-[(1r)-1-hydroxyhexyl]oxirane-2-carbaldehyde
Molecular Mass 172.222 g·mol−1
Heat of Formation -477.8 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 229.29 Å 3
Surface Area 224.43 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-3-[(1r)-1-hydroxyhexyl]-2-oxiranecarboxaldehyde
  • (2r,3r)-3-[(1r)-1-hydroxyhexyl]oxirane-2-carbaldehyde
  • 3-(1-hydroxyhexyl)oxiranecarboxaldehyde (2-alpha,3-alpha(r*))-
  • oxiranecarboxaldehyde, 3-(1-hydroxyhexyl)-, (2-alpha,3-alpha(r*))-
CAS Number(s)
  • 152375-23-0
InChIKey RWEZZEBPLLEJBN-HRDYMLBCSA-N
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