Cas no 139451-36-8 (1,3-Naphthalenedicarboxylic acid, 5-methyl-)

1,3-Naphthalenedicarboxylic acid, 5-methyl- structure
139451-36-8 structure
Product Name:1,3-Naphthalenedicarboxylic acid, 5-methyl-
CAS No:139451-36-8
MF:C13H10O4
MW:230.216104030609
CID:1271441
Update Time:2024-08-03

1,3-Naphthalenedicarboxylic acid, 5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Naphthalenedicarboxylic acid, 5-methyl-
    • Inchi: 1S/C13H10O4/c1-7-3-2-4-9-10(7)5-8(12(14)15)6-11(9)13(16)17/h2-6H,1H3,(H,14,15)(H,16,17)
    • InChI Key: GEQFCKVJDCSOMP-UHFFFAOYSA-N
    • SMILES: C1(C(O)=O)=C2C(C(C)=CC=C2)=CC(C(O)=O)=C1

Computed Properties

  • Exact Mass: 230.0579

Experimental Properties

  • Density: 1.396±0.06 g/cm3(Predicted)
  • Boiling Point: 476.1±33.0 °C(Predicted)
  • PSA: 74.6
  • pka: 3.18±0.10(Predicted)
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