Cas no 21527-30-0 (Benzeneheptanoic acid, 2-methoxy-)

Benzeneheptanoic acid, 2-methoxy- structure
21527-30-0 structure
Product Name:Benzeneheptanoic acid, 2-methoxy-
CAS No:21527-30-0
MF:C14H20O3
MW:236.306804656982
CID:1408568
Update Time:2024-08-15

Benzeneheptanoic acid, 2-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzeneheptanoic acid, 2-methoxy-
    • Inchi: 1S/C14H20O3/c1-17-13-10-7-6-9-12(13)8-4-2-3-5-11-14(15)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,15,16)
    • InChI Key: JPUWBGZATHHUFT-UHFFFAOYSA-N
    • SMILES: C1(CCCCCCC(O)=O)=CC=CC=C1OC

Computed Properties

  • Exact Mass: 236.1413

Experimental Properties

  • Density: 1.057±0.06 g/cm3(Predicted)
  • Boiling Point: 384.8±25.0 °C(Predicted)
  • PSA: 46.53
  • pka: 4.77±0.10(Predicted)
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