Cas no 917981-27-2 (Benzoic acid, 2,4,6-tripropoxy-)

Benzoic acid, 2,4,6-tripropoxy- structure
917981-27-2 structure
Product Name:Benzoic acid, 2,4,6-tripropoxy-
CAS No:917981-27-2
MF:C16H24O5
MW:296.358765602112
CID:780412
PubChem ID:68718316
Update Time:2025-04-19

Benzoic acid, 2,4,6-tripropoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,4,6-tripropoxy-
    • 2,4,6-tripropoxybenzoic acid
    • DTXSID90738901
    • 917981-27-2
    • SCHEMBL3625286
    • Inchi: 1S/C16H24O5/c1-4-7-19-12-10-13(20-8-5-2)15(16(17)18)14(11-12)21-9-6-3/h10-11H,4-9H2,1-3H3,(H,17,18)
    • InChI Key: LORRLPQHUKFYRT-UHFFFAOYSA-N
    • SMILES: O(CCC)C1C=C(C=C(C=1C(=O)O)OCCC)OCCC

Computed Properties

  • Exact Mass: 296.16237386g/mol
  • Monoisotopic Mass: 296.16237386g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 10
  • Complexity: 276
  • 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: 4
  • Topological Polar Surface Area: 65?2

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