Cas no 348081-57-2 (Malic acid; (S)-form, O-(3,4,5-Trihydroxybenzoyl))

Malic acid; (S)-form, O-(3,4,5-Trihydroxybenzoyl) structure
348081-57-2 structure
Product Name:Malic acid; (S)-form, O-(3,4,5-Trihydroxybenzoyl)
CAS No:348081-57-2
MF:C11H10O9
MW:286.191704273224
CID:6704835
Update Time:2024-03-02

Malic acid; (S)-form, O-(3,4,5-Trihydroxybenzoyl) Chemical and Physical Properties

Names and Identifiers

    • Malic acid; (S)-form, O-(3,4,5-Trihydroxybenzoyl)
    • Inchi: 1S/C11H10O9/c12-5-1-4(2-6(13)9(5)16)11(19)20-7(10(17)18)3-8(14)15/h1-2,7,12-13,16H,3H2,(H,14,15)(H,17,18)
    • InChI Key: NSOJLVUORKKGRI-UHFFFAOYSA-N
    • SMILES: OC(CC(C(=O)O)OC(C1C=C(O)C(O)=C(O)C=1)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 20
  • XLogP3: 0.0419999999999999

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