Cas no 415945-15-2 (Benzoic acid,3-acetyl-2,6-dihydroxy-5-methyl-)

Benzoic acid,3-acetyl-2,6-dihydroxy-5-methyl- structure
415945-15-2 structure
Product Name:Benzoic acid,3-acetyl-2,6-dihydroxy-5-methyl-
CAS No:415945-15-2
MF:C10H10O5
MW:210.183403491974
CID:326585
Update Time:2024-02-29

Benzoic acid,3-acetyl-2,6-dihydroxy-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-acetyl-2,6-dihydroxy-5-methyl-
    • Benzoic acid, 3-acetyl-2,6-dihydroxy-5-methyl- (9CI)
    • Benzoic acid, 3-acetyl-2,6-dihydroxy-5-methyl-
    • Inchi： 1S/C10H10O5/c1-4-3-6(5(2)11)9(13)7(8(4)12)10(14)15/h3,12-13H,1-2H3,(H,14,15)
    • InChI Key： NIVOTSZWKATDPU-UHFFFAOYSA-N
    • SMILES： C(O)(=O)C1=C(O)C(C)=CC(C(C)=O)=C1O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • XLogP3: 1.45

Experimental Properties

  • Density: 1.433±0.06 g/cm3(Predicted)
  • Melting Point: 135-137 °C
  • Boiling Point: 415.8±45.0 °C(Predicted)
  • pka: 0.83±0.21(Predicted)

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