Cas no 147214-90-2 (Benzoic acid, 3,5-dihydroxy-2-methyl-, methyl ester)

Benzoic acid, 3,5-dihydroxy-2-methyl-, methyl ester structure
147214-90-2 structure
Product Name:Benzoic acid, 3,5-dihydroxy-2-methyl-, methyl ester
CAS No:147214-90-2
MF:C9H10O4
MW:182.173303127289
CID:1323386
Update Time:2024-08-18

Benzoic acid, 3,5-dihydroxy-2-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3,5-dihydroxy-2-methyl-, methyl ester
    • Inchi: 1S/C9H10O4/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4,10-11H,1-2H3
    • InChI Key: HJYJYOPQOZANQK-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)C1=CC(O)=CC(O)=C1C

Computed Properties

  • Exact Mass: 182.0579

Experimental Properties

  • Density: 1.296±0.06 g/cm3(Predicted)
  • Melting Point: 124 °C
  • Boiling Point: 170 °C(Press: 0.5 Torr)
  • PSA: 66.76
  • pka: 9.26±0.23(Predicted)
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