Cas no 2631-87-0 (8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,7-(1,3-benzodioxol-5-yl)-9-methoxy-)

8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,7-(1,3-benzodioxol-5-yl)-9-methoxy- structure
2631-87-0 structure
Product Name:8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,7-(1,3-benzodioxol-5-yl)-9-methoxy-
CAS No:2631-87-0
MF:C18H12O7
MW:340.283685684204
CID:1426326
Update Time:2024-08-15

8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,7-(1,3-benzodioxol-5-yl)-9-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,7-(1,3-benzodioxol-5-yl)-9-methoxy-
    • 8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 7-(1,3-benzodioxol-5-yl)-9-methoxy-
    • Inchi: 1S/C18H12O7/c1-20-18-15-13(5-14-17(18)25-8-24-14)21-6-10(16(15)19)9-2-3-11-12(4-9)23-7-22-11/h2-6H,7-8H2,1H3
    • InChI Key: VLDDRJPEYZHZQG-UHFFFAOYSA-N
    • SMILES: COC1C2=C(OC=C(C2=O)C2C=C3C(OCO3)=CC=2)C=C2C=1OCO2

Computed Properties

  • Exact Mass: 340.05826
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 25
  • XLogP3: 2.072

Experimental Properties

  • Density: 1.508±0.06 g/cm3(Predicted)
  • Melting Point: 223-224 °C
  • Boiling Point: 551.6±50.0 °C(Predicted)
  • PSA: 72.45

8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one,7-(1,3-benzodioxol-5-yl)-9-methoxy- Related Literature

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