Cas no 5651-55-8 (3-(benzyloxy)-4,5-dimethoxybenzoic acid)

3-(benzyloxy)-4,5-dimethoxybenzoic acid structure
5651-55-8 structure
Product Name:3-(benzyloxy)-4,5-dimethoxybenzoic acid
CAS No:5651-55-8
MF:C16H16O5
MW:288.295245170593
CID:945460
PubChem ID:227810
Update Time:2025-04-19

3-(benzyloxy)-4,5-dimethoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(benzyloxy)-4,5-dimethoxybenzoic acid
    • 3,4-dimethoxy-5-phenylmethoxybenzoic acid
    • 3-Benzyloxy-4,5-dimethoxybenzoesaeure
    • 3-benzyloxy-4,5-dimethoxybenzoic acid
    • 3-O-benzyl-4,5-di-O-methylgallic acid
    • 4,5-Dimethoxy-3-benzyloxy-benzoesaeure
    • AC1L5FRH
    • AC1Q5UOO
    • AG-J-74496
    • AR-1E7360
    • CTK5A5252
    • NSC19891
    • SureCN7168025
    • NSC-19891
    • SCHEMBL7168025
    • DTXSID60281050
    • AKOS000277305
    • G61641
    • 5651-55-8
    • Inchi： 1S/C16H16O5/c1-19-13-8-12(16(17)18)9-14(15(13)20-2)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)
    • InChI Key： NUSWQOWJNXOCIA-UHFFFAOYSA-N
    • SMILES： O(CC1C=CC=CC=1)C1C=C(C(=O)O)C=C(C=1OC)OC

Computed Properties

  • Exact Mass: 288.09978
  • Monoisotopic Mass: 288.1
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 327
  • 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: 2.9
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 65?2

Experimental Properties

  • Density: 1.228
  • Boiling Point: 440.8°C at 760 mmHg
  • Flash Point: 161.5°C
  • Refractive Index: 1.576
  • PSA: 64.99
  • LogP: 2.98100

3-(benzyloxy)-4,5-dimethoxybenzoic acid Related Literature

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