Cas no 155052-29-2 (Octanoic acid, 5-hydroxy-3-oxo-, 1-methylethyl ester, (R)-)

Octanoic acid, 5-hydroxy-3-oxo-, 1-methylethyl ester, (R)- structure
155052-29-2 structure
Product Name:Octanoic acid, 5-hydroxy-3-oxo-, 1-methylethyl ester, (R)-
CAS No:155052-29-2
MF:C11H20O4
MW:216.274104118347
CID:1330917
Update Time:2024-08-18

Octanoic acid, 5-hydroxy-3-oxo-, 1-methylethyl ester, (R)- Chemical and Physical Properties

Names and Identifiers

    • Octanoic acid, 5-hydroxy-3-oxo-, 1-methylethyl ester, (R)-
    • Octanoic acid, 5-hydroxy-3-oxo-, 1-methylethyl ester, (5R)-
    • Inchi: 1S/C11H20O4/c1-4-5-9(12)6-10(13)7-11(14)15-8(2)3/h8-9,12H,4-7H2,1-3H3/t9-/m1/s1
    • InChI Key: LNTXNMSXTPTZTK-SECBINFHSA-N
    • SMILES: C(OC(C)C)(=O)CC(=O)C[C@H](O)CCC

Computed Properties

  • Exact Mass: 216.1362

Experimental Properties

  • Density: 1.034±0.06 g/cm3(Predicted)
  • Boiling Point: 306.1±17.0 °C(Predicted)
  • PSA: 63.6
  • pka: 11.42±0.46(Predicted)
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