Cas no 10088-67-2 (4,6-Dihydroxy-2-(1-hydroxy-2-oxo-propyl)-3-methoxy-benzoesaeure)

4,6-Dihydroxy-2-(1-hydroxy-2-oxo-propyl)-3-methoxy-benzoesaeure structure
10088-67-2 structure
Product Name:4,6-Dihydroxy-2-(1-hydroxy-2-oxo-propyl)-3-methoxy-benzoesaeure
CAS No:10088-67-2
MF:C11H12O7
MW:256.208784103394
CID:2013590
PubChem ID:53440624
Update Time:2025-04-21

4,6-Dihydroxy-2-(1-hydroxy-2-oxo-propyl)-3-methoxy-benzoesaeure Chemical and Physical Properties

Names and Identifiers

    • 4,6-Dihydroxy-2-(1-hydroxy-2-oxo-propyl)-3-methoxy-benzoesaeure
    • 4,6-dihydroxy-2-(1-hydroxy-2-oxo-propyl)-3-methoxy-benzoic acid
    • Ustinsaeure
    • 2-(1-Hydroxy-2-oxopropyl)-3-methoxy-4,6-dihydroxybenzoic acid
    • 4,6-dihydroxy-2-(1-hydroxy-2-oxopropyl)-3-methoxybenzoic acid
    • 10088-67-2
    • DTXSID80702691
    • Inchi: 1S/C11H12O7/c1-4(12)9(15)8-7(11(16)17)5(13)3-6(14)10(8)18-2/h3,9,13-15H,1-2H3,(H,16,17)
    • InChI Key: NLIPVYOXJIPBAE-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=C(C(C(=O)O)=C1C(C(C)=O)O)O)O

Computed Properties

  • Exact Mass: 256.058303g/mol
  • Monoisotopic Mass: 256.058303g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 329
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 256.21g/mol
  • XLogP3: 0.3
  • Topological Polar Surface Area: 124?2
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