Cas no 5707-96-0 ( )

  structure
  structure
Product Name: 
CAS No:5707-96-0
MF:C21H16O6
MW:364.348146438599
CID:946458
PubChem ID:122805
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 5-(3,4-dimethoxyphenyl)-6H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
    • 9-(3,4-Dimethoxy-phenyl)-8-H-furo(3',4':6,7)naphtho(2,3-d)(1,3)dioxol-6-one
    • 9-(3,4-dimethoxy-phenyl)-8H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one
    • 9-(3,4-Dimethoxy-phenyl)-8-H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one
    • 9-(3,4-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8h)-one
    • AC1L3VAF
    • AC1Q6P3N
    • NSC254665
    • Retrochinensin
    • Retrochinesin
    • UNII-RQQ8T34V5F
    • NCI60_002042
    • FPB7483LCY
    • FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(8H)-ONE, 9-(3,4-DIMETHOXYPHENYL)-
    • DTXSID80972539
    • NAPHTHO(2,3-D)-1,3-DIOXOLE-6-CARBOXYLIC ACID, 8-(3,4-DIMETHOXYPHENYL)-7-(HYDROXYMETHYL)-, .GAMMA.-LACTONE
    • 9-(3,4-Dimethoxyphenyl)-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one
    • 9-(3,4-DIMETHOXYPHENYL)FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(8H)-ONE
    • CHEMBL440125
    • NSC 254665
    • 9-(3,4-Dimethoxy-phenyl)-8H-furo[3'',4'':6,7]naphtho[2,3-d][1,3]dioxol-6-one
    • 5-(3,4-dimethoxyphenyl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
    • 5707-96-0
    • NSC-254665
    • UNII-FPB7483LCY
    • BDBM50280960
    •  
    • Inchi: 1S/C21H16O6/c1-23-16-4-3-11(6-17(16)24-2)20-13-8-19-18(26-10-27-19)7-12(13)5-14-15(20)9-25-21(14)22/h3-8H,9-10H2,1-2H3
    • InChI Key: YYPFAIGJJDNPII-UHFFFAOYSA-N
    • SMILES: O1C(C2=CC3C=C4C(=CC=3C(C3C=CC(=C(C=3)OC)OC)=C2C1)OCO4)=O

Computed Properties

  • Exact Mass: 364.09468
  • Monoisotopic Mass: 364.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 567
  • 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
  • Topological Polar Surface Area: 63.2A^2
  • XLogP3: 4

Experimental Properties

  • Density: 1.4
  • Boiling Point: 661.4°C at 760 mmHg
  • Flash Point: 290.9°C
  • Refractive Index: 1.652
  • PSA: 63.22
  • LogP: 3.92310
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