Cas no 54291-66-6 (Benzaldehyde,4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3-methoxy-5-nitro-)

Benzaldehyde,4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3-methoxy-5-nitro- structure
54291-66-6 structure
Product Name:Benzaldehyde,4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3-methoxy-5-nitro-
CAS No:54291-66-6
MF:C16H13NO8
MW:347.276324987412
CID:354984
Update Time:2024-01-28

Benzaldehyde,4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3-methoxy-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3-methoxy-5-nitro-
    • Benzaldehyde, 4-(5-formyl-2-hydroxy-3-methoxyphenoxy)-3-methoxy-5-nitro-
    • Inchi: 1S/C16H13NO8/c1-23-12-4-10(8-19)5-13(15(12)20)25-16-11(17(21)22)3-9(7-18)6-14(16)24-2/h3-8,20H,1-2H3
    • InChI Key: BJNZIMRXPDLOIG-UHFFFAOYSA-N
    • SMILES: C(=O)C1=CC([N+]([O-])=O)=C(OC2=CC(C=O)=CC(OC)=C2O)C(OC)=C1

Computed Properties

  • Exact Mass: 347.06409

Experimental Properties

  • Density: 1.437±0.06 g/cm3(Predicted)
  • Melting Point: 186.5-187.3 °C(Solv: acetic acid (64-19-7))
  • Boiling Point: 523.8±50.0 °C(Predicted)
  • PSA: 125.2
  • pka: 6.51±0.48(Predicted)
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