Cas no 479-25-4 (3-formyl-2,4-dihydroxy-6-methylbenzoic acid)

3-formyl-2,4-dihydroxy-6-methylbenzoic acid structure
479-25-4 structure
Product Name:3-formyl-2,4-dihydroxy-6-methylbenzoic acid
CAS No:479-25-4
MF:C9H8O5
MW:196.156823158264
CID:1518404
Update Time:2024-08-23

3-formyl-2,4-dihydroxy-6-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-formyl-2,4-dihydroxy-6-methylbenzoic acid
    • Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-
    • Haematommic acid
    • Inchi： 1S/C9H8O5/c1-4-2-6(11)5(3-10)8(12)7(4)9(13)14/h2-3,11-12H,1H3,(H,13,14)
    • InChI Key： KCOOTJRKKIDHTM-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=C(C)C=C(O)C(C=O)=C1O

Computed Properties

  • Exact Mass: 196.03714

Experimental Properties

  • Density: 1.547±0.06 g/cm3(Predicted)
  • Melting Point: 172-173 °C
  • Boiling Point: 342.8±42.0 °C(Predicted)
  • PSA: 94.83
  • pka: 2.74±0.25(Predicted)

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