Cas no 76341-70-3 (2-chloro-4-hydroxy-3,5-dimethoxybenzoic acid)

2-chloro-4-hydroxy-3,5-dimethoxybenzoic acid structure
76341-70-3 structure
Product Name:2-chloro-4-hydroxy-3,5-dimethoxybenzoic acid
CAS No:76341-70-3
MF:C9H9ClO5
MW:232.617762327194
CID:1779266
PubChem ID:156693
Update Time:2025-04-21

2-chloro-4-hydroxy-3,5-dimethoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-4-hydroxy-3,5-dimethoxybenzoic acid
    • Benzoic acid, 2-chloro-4-hydroxy-3,5-dimethoxy-
    • 76341-70-3
    • DTXSID50227205
    • Inchi: 1S/C9H9ClO5/c1-14-5-3-4(9(12)13)6(10)8(15-2)7(5)11/h3,11H,1-2H3,(H,12,13)
    • InChI Key: SZKVBSBSSNHHBQ-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)O)C=C(C(=C1OC)O)OC

Computed Properties

  • Exact Mass: 232.01387
  • Monoisotopic Mass: 232.0138511g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 235
  • 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: 1.7
  • Topological Polar Surface Area: 76?2

Experimental Properties

  • PSA: 75.99
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