Cas no 646057-45-6 (Pentanal, 4-(phenylmethoxy)-, (4R)-)

Pentanal, 4-(phenylmethoxy)-, (4R)- structure
646057-45-6 structure
Product Name:Pentanal, 4-(phenylmethoxy)-, (4R)-
CAS No:646057-45-6
MF:C12H16O2
MW:192.254243850708
CID:421618
PubChem ID:13411952
Update Time:2025-04-19

Pentanal, 4-(phenylmethoxy)-, (4R)- Chemical and Physical Properties

Names and Identifiers

    • Pentanal, 4-(phenylmethoxy)-, (4R)-
    • DTXSID40539965
    • 646057-45-6
    • (4R)-4-(Benzyloxy)pentanal
    • Inchi： 1S/C12H16O2/c1-11(6-5-9-13)14-10-12-7-3-2-4-8-12/h2-4,7-9,11H,5-6,10H2,1H3/t11-/m1/s1
    • InChI Key： NZQZEYKPLUFQLF-LLVKDONJSA-N
    • SMILES： O(CC1C=CC=CC=1)[C@H](C)CCC=O

Computed Properties

  • Exact Mass: 192.11508
  • Monoisotopic Mass: 192.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 150
  • 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: 1.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

Pentanal, 4-(phenylmethoxy)-, (4R)- Related Literature

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