Cas no 918531-61-0 (Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]-)

Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]- structure
918531-61-0 structure
Product Name:Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]-
CAS No:918531-61-0
MF:C13H18O4
MW:238.279624462128
CID:773613
PubChem ID:71426847
Update Time:2025-04-19

Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-[[(5S)-5,6-dihydroxyhexyl]oxy]-
    • 3-{[(5S)-5,6-Dihydroxyhexyl]oxy}benzaldehyde
    • DTXSID00845599
    • 918531-61-0
    • Inchi: 1S/C13H18O4/c14-9-11-4-3-6-13(8-11)17-7-2-1-5-12(16)10-15/h3-4,6,8-9,12,15-16H,1-2,5,7,10H2/t12-/m0/s1
    • InChI Key: KMAOFMIFMWFAQP-LBPRGKRZSA-N
    • SMILES: O(C1C=CC=C(C=O)C=1)CCCC[C@@H](CO)O

Computed Properties

  • Exact Mass: 238.12050905g/mol
  • Monoisotopic Mass: 238.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 8
  • Complexity: 208
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 66.8?2
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