Cas no 99837-97-5 (Dodecanoic acid, 12-hydroxy-, phenylmethyl ester)

Dodecanoic acid, 12-hydroxy-, phenylmethyl ester structure
99837-97-5 structure
Product Name:Dodecanoic acid, 12-hydroxy-, phenylmethyl ester
CAS No:99837-97-5
MF:C19H30O3
MW:306.439706325531
CID:750029
PubChem ID:12077613
Update Time:2025-04-19

Dodecanoic acid, 12-hydroxy-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Dodecanoic acid, 12-hydroxy-, phenylmethyl ester
    • benzyl 12-hydroxydodecanoate
    • DTXSID60477133
    • NQOJORCGROAJNI-UHFFFAOYSA-N
    • 99837-97-5
    • 12-Hydroxydodecanoic acid benzyl ester
    • SCHEMBL574387
    • Inchi: 1S/C19H30O3/c20-16-12-7-5-3-1-2-4-6-11-15-19(21)22-17-18-13-9-8-10-14-18/h8-10,13-14,20H,1-7,11-12,15-17H2
    • InChI Key: NQOJORCGROAJNI-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(CCCCCCCCCCCO)=O

Computed Properties

  • Exact Mass: 306.21949481g/mol
  • Monoisotopic Mass: 306.21949481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 14
  • Complexity: 259
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 46.5?2
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