Cas no 129280-33-7 (4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-)

4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- structure
129280-33-7 structure
Product Name:4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
CAS No:129280-33-7
MF:C20H16O6
MW:352.337446212769
MDL:MFCD28100710
CID:188822
PubChem ID:5481948
Update Time:2025-07-13

4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- Chemical and Physical Properties

Names and Identifiers

    • 4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-
    • semilicoisoflavone B
    • 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
    • [ "" ]
    • PSX005
    • 4H-1-BENZOPYRAN-4-ONE, 5,7-DIHYDROXY-3-(8-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)-
    • LMPK12050248
    • CHEBI:69093
    • 129280-33-7
    • SemilicoisoflavoneB
    • 5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-[3,6']bi[1-benzopyranyl]-4-one
    • SCHEMBL755145
    • 5,7,8'-Trihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one
    • NCGC00247522-01
    • SMR000470941
    • FT-0775385
    • 5,7-Dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one, 9CI
    • CS-0016684
    • DTXSID60156133
    • 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one
    • CHEMBL1864439
    • MLS000697602
    • 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one
    • HY-N1280
    • 5,7,8'-Trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-one
    • AKOS032949073
    • Q27137434
    • HMS2269L18
    • UNII-T9TP371NFX
    • DTXCID9078624
    • MS-25458
    • T9TP371NFX
    • MDL： MFCD28100710
    • Inchi： 1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3
    • InChI Key： LWZACZCRAUQSLH-UHFFFAOYSA-N
    • SMILES： O1C2C(=CC(C3=COC4C=C(C=C(C=4C3=O)O)O)=CC=2C=CC1(C)C)O

Computed Properties

  • Exact Mass: 352.09500
  • Monoisotopic Mass: 352.094688
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 1
  • Complexity: 638
  • 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: 96.2
  • XLogP3: 3.6

Experimental Properties

  • Color/Form: Oil
  • Density: 1.443±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 615.5°C at 760 mmHg
  • Flash Point: 225.5°C
  • Refractive Index: 1.682
  • Solubility: Very slightly soluble (0.11 g/l) (25 o C),
  • PSA: 100.13000
  • LogP: 3.76100
  • Vapor Pressure: 0.0±1.8 mmHg at 25°C

4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- Security Information

4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)- Pricemore >>

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