Cas no 173152-56-2 (Benzoic acid, 2-formyl-3-hydroxy-5-methoxy-6-methyl-, methyl ester)

Benzoic acid, 2-formyl-3-hydroxy-5-methoxy-6-methyl-, methyl ester structure
173152-56-2 structure
Product Name:Benzoic acid, 2-formyl-3-hydroxy-5-methoxy-6-methyl-, methyl ester
CAS No:173152-56-2
MF:C11H12O5
MW:224.209983825684
CID:1357660
Update Time:2024-08-17

Benzoic acid, 2-formyl-3-hydroxy-5-methoxy-6-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-formyl-3-hydroxy-5-methoxy-6-methyl-, methyl ester
    • Inchi： 1S/C11H12O5/c1-6-9(15-2)4-8(13)7(5-12)10(6)11(14)16-3/h4-5,13H,1-3H3
    • InChI Key： HKICWGOPXTVTAJ-UHFFFAOYSA-N
    • SMILES： C(OC)(=O)C1=C(C)C(OC)=CC(O)=C1C=O

Computed Properties

  • Exact Mass: 224.06846

Experimental Properties

  • Density: 1.261±0.06 g/cm3(Predicted)
  • Melting Point: 118-119 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
  • Boiling Point: 388.0±42.0 °C(Predicted)
  • PSA: 72.83
  • pka: 7.31±0.28(Predicted)

Benzoic acid, 2-formyl-3-hydroxy-5-methoxy-6-methyl-, methyl ester Related Literature

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