Cas no 649737-33-7 (Pentanoic acid, 3-ethyl-2-hydroxy-, (2S)-)

Pentanoic acid, 3-ethyl-2-hydroxy-, (2S)- structure
649737-33-7 structure
Product Name:Pentanoic acid, 3-ethyl-2-hydroxy-, (2S)-
CAS No:649737-33-7
MF:C7H14O3
MW:146.184262752533
CID:410340
PubChem ID:71377703
Update Time:2025-04-19

Pentanoic acid, 3-ethyl-2-hydroxy-, (2S)- Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid, 3-ethyl-2-hydroxy-, (2S)-
    • (2S)-3-ethyl-2-hydroxypentanoic acid
    • DTXSID90800334
    • 649737-33-7
    • SCHEMBL3099178
    • Inchi: 1S/C7H14O3/c1-3-5(4-2)6(8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1
    • InChI Key: MBJNVIFBWMTUSE-LURJTMIESA-N
    • SMILES: O[C@H](C(=O)O)C(CC)CC

Computed Properties

  • Exact Mass: 146.09432
  • Monoisotopic Mass: 146.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 107
  • 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: 1.2
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
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