Cas no 64666-98-4 (13H-Benzo[d][1,3]dioxolo[6,7]naphtho[1,2-b]pyran-13-one,1,2-dimethoxy-)

13H-Benzo[d][1,3]dioxolo[6,7]naphtho[1,2-b]pyran-13-one,1,2-dimethoxy- structure
64666-98-4 structure
Product Name:13H-Benzo[d][1,3]dioxolo[6,7]naphtho[1,2-b]pyran-13-one,1,2-dimethoxy-
CAS No:64666-98-4
MF:C20H14O6
MW:350.321566104889
CID:505749
PubChem ID:196418
Update Time:2025-04-19

13H-Benzo[d][1,3]dioxolo[6,7]naphtho[1,2-b]pyran-13-one,1,2-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 13H-Benzo[d][1,3]dioxolo[6,7]naphtho[1,2-b]pyran-13-one,1,2-dimethoxy-
    • Arnottin I
    • 64666-98-4
    • DTXSID50214938
    • 17,18-dimethoxy-5,7,21-trioxapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one
    • Inchi： 1S/C20H14O6/c1-22-14-6-5-11-12-4-3-10-7-15-16(25-9-24-15)8-13(10)18(12)26-20(21)17(11)19(14)23-2/h3-8H,9H2,1-2H3
    • InChI Key： AOYQXCYLRJFNFX-UHFFFAOYSA-N
    • SMILES： O1C(C2C(=C(C=CC=2C2C=CC3C=C4C(=CC=3C1=2)OCO4)OC)OC)=O

Computed Properties

  • Exact Mass: 350.07902
  • Monoisotopic Mass: 350.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 552
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 63.2?2

Experimental Properties

  • Density: 1.418
  • Boiling Point: 586.3°C at 760 mmHg
  • Flash Point: 260.5°C
  • Refractive Index: 1.676
  • PSA: 63.22

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