Cas no 62702-46-9 (Benzoic acid, 4-hydroxy-, 4-hydroxybutyl ester)

Benzoic acid, 4-hydroxy-, 4-hydroxybutyl ester structure
62702-46-9 structure
Product Name:Benzoic acid, 4-hydroxy-, 4-hydroxybutyl ester
CAS No:62702-46-9
MF:C11H14O4
MW:210.226463794708
CID:434704
PubChem ID:20435905
Update Time:2025-04-19

Benzoic acid, 4-hydroxy-, 4-hydroxybutyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-hydroxy-, 4-hydroxybutyl ester
    • 4-Hydroxybenzoic acid 4-hydroxybutyl ester
    • 4-hydroxybutyl 4-hydroxybenzoate
    • DTXSID50607104
    • SCHEMBL10599154
    • 62702-46-9
    • Inchi: 1S/C11H14O4/c12-7-1-2-8-15-11(14)9-3-5-10(13)6-4-9/h3-6,12-13H,1-2,7-8H2
    • InChI Key: DQMQIROMSIZZGZ-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=CC=1)O)=O)CCCCO

Computed Properties

  • Exact Mass: 210.08922
  • Monoisotopic Mass: 210.08920892g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 185
  • 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: 2.3
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 66.76

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