Cas no 129815-99-2 (1,2-Benzenedicarboxylic acid, mono(3-methylphenyl) ester)

1,2-Benzenedicarboxylic acid, mono(3-methylphenyl) ester structure
129815-99-2 structure
Product Name:1,2-Benzenedicarboxylic acid, mono(3-methylphenyl) ester
CAS No:129815-99-2
MF:C15H12O4
MW:256.253384590149
CID:1228608
Update Time:2024-08-05

1,2-Benzenedicarboxylic acid, mono(3-methylphenyl) ester Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylic acid, mono(3-methylphenyl) ester
    • 1,2-Benzenedicarboxylic acid, 1-(3-methylphenyl) ester
    • Inchi： 1S/C15H12O4/c1-10-5-4-6-11(9-10)19-15(18)13-8-3-2-7-12(13)14(16)17/h2-9H,1H3,(H,16,17)
    • InChI Key： SFXQOWCSVIMDIM-UHFFFAOYSA-N
    • SMILES： C1(C(OC2=CC=CC(C)=C2)=O)=CC=CC=C1C(O)=O

Computed Properties

  • Exact Mass: 256.07356

Experimental Properties

  • Density: 1.270±0.06 g/cm3(Predicted)
  • Boiling Point: 426.8±28.0 °C(Predicted)
  • PSA: 63.6
  • pka: 3.32±0.36(Predicted)

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