Cas no 21244-13-3 (Benzeneheptanoic acid, 4-methoxy-)

Benzeneheptanoic acid, 4-methoxy- structure
21244-13-3 structure
Product Name:Benzeneheptanoic acid, 4-methoxy-
CAS No:21244-13-3
MF:C14H20O3
MW:236.306804656982
CID:1399658
Update Time:2024-08-15

Benzeneheptanoic acid, 4-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzeneheptanoic acid, 4-methoxy-
    • Inchi: 1S/C14H20O3/c1-17-13-10-8-12(9-11-13)6-4-2-3-5-7-14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
    • InChI Key: GVQILVWPWHFVIE-UHFFFAOYSA-N
    • SMILES: C1(CCCCCCC(O)=O)=CC=C(OC)C=C1

Computed Properties

  • Exact Mass: 236.1413

Experimental Properties

  • Density: 1.057±0.06 g/cm3(Predicted)
  • Melting Point: 69 °C
  • Boiling Point: 395.7±25.0 °C(Predicted)
  • PSA: 46.53
  • pka: 4.77±0.10(Predicted)
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