Cas no 88206-51-3 (Anhydronotoptol)

Anhydronotoptol structure
Anhydronotoptol structure
Product Name:Anhydronotoptol
CAS No:88206-51-3
MF:C21H20O4
MW:336.381106376648
CID:641324
PubChem ID:5319004
Update Time:2024-10-26

Anhydronotoptol Chemical and Physical Properties

Names and Identifiers

    • 7H-Furo[3,2-g][1]benzopyran-7-one,4-[(3,7-dimethyl-2,5,7-octatrienyl)oxy]-, (E,E)-
    • Anhydronotoptol
    • 4-[(2E,5E)-3,7-Dimethylocta-2,5,7-trienoxy]furo[3,2-g]chromen-7-one
    • CHEBI:229051
    • CS-0204165
    • HY-N9896
    • TS-10181
    • 4-[(2E,5E)-3,7-dimethylocta-2,5,7-trienoxy]uro[3,2-g]chromen-7-one
    • AKOS037515357
    • Anhydro notoptol
    • XA172934
    • DA-70871
    • 88206-51-3
    • Inchi: 1S/C21H20O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h4-5,7-10,12-13H,1,6,11H2,2-3H3/b5-4+,15-9+
    • InChI Key: SFUVOLKWTCFJSX-YUQKSTFXSA-N
    • SMILES: O(C/C=C(\C)/C/C=C/C(=C)C)C1=C2C=CC(=O)OC2=CC2=C1C=CO2

Computed Properties

  • Exact Mass: 336.13615911g/mol
  • Monoisotopic Mass: 336.13615911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 601
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 48.7
  • XLogP3: 5.8

Experimental Properties

  • Density: 1.165±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (2.8E-3 g/L) (25 oC),

Anhydronotoptol Pricemore >>

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