Cas no 133-26-6 (7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)-)

7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)- structure
133-26-6 structure
Product Name:7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)-
CAS No:133-26-6
MF:C15H14O4
MW:258.269264698029
CID:163924
PubChem ID:8616
Update Time:2025-04-19

7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)-
    • 3-methoxy-2-propan-2-ylfuro[3,2-g]chromen-7-one
    • 7H-Furo3,2-g1benzopyran-7-one, 3-methoxy-2-(1-methylethyl)-
    • 3-methoxy-2-(propan-2-yl)-7H-furo[3,2-g]chromen-7-one
    • pseucedanin
    • PEUCEDANIN
    • Oreoselone methyl ether
    • 3-Methoxy-2-(1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one
    • SpecPlus_000952
    • SDCCGMLS-0066802.P001
    • 5-19-06-00042 (Beilstein Handbook Reference)
    • 133-26-6
    • 7H-Furo[3,2-g][1]benzopyran-7-one, 3-methoxy-2-(1-methylethyl)-
    • KBioGR_002191
    • CL-381982
    • KBio2_004594
    • YQBNJPACAUPNLV-UHFFFAOYSA-
    • AB00053108-02
    • SPECTRUM1504168
    • 2-isopropyl-3-methoxy-7H-furo[3,2-g]chromen-7-one
    • 4-Methoxy-5-isopropylfuro(2,3:6,7)coumarin
    • KBio2_007162
    • 5-Benzofuranacrylic acid, 6-hydroxy-2-isopropyl-3-methoxy-, delta-lactone
    • SMR000102964
    • AKOS000278122
    • MEGxp0_001552
    • KBio2_002026
    • HMS2675C08
    • BRD-K72034655-001-02-1
    • NCGC00095695-02
    • 7H-FURO(3,2-g)(1)BENZOPYRAN-7-ONE, 2-ISOPROPYL-3-METHOXY-
    • KBioSS_002026
    • SCHEMBL2249089
    • UNII-N021633LOB
    • C09283
    • BSPBio_003373
    • SPBio_000658
    • CHEBI:8034
    • 2-isopropyl-3-methoxy-furo[3,2-g]chromen-7-one
    • Peutsedin
    • CCG-40070
    • N021633LOB
    • Spectrum4_001666
    • PEUCEDANIN [MI]
    • Spectrum3_001647
    • NCGC00095695-01
    • Q27107645
    • KBio3_002593
    • 6-Hydroxy-2-isopropyl-3-methoxy-5-benzofuranacrylic acid delta-lactone
    • BRN 0234473
    • Spectrum_001546
    • Spectrum2_000729
    • DTXSID10157897
    • DivK1c_007048
    • Oprea1_837278
    • NS00094618
    • KBio1_001992
    • Spectrum5_000571
    • 3-Methoxy-2-(1-methylethyl)-7H-furo(3,2-g)(1)benzopyran-7-one
    • Oprea1_190644
    • InChI=1/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
    • 6-HYDROXY-2-ISOPROPYL-3-METHOXY-5-BENZOFURANACRYLIC ACID .GAMMA.-LACTONE
    • CHEMBL1410943
    • MLS001049116
    • MLSMR
    • Inchi： 1S/C15H14O4/c1-8(2)14-15(17-3)10-6-9-4-5-13(16)18-11(9)7-12(10)19-14/h4-8H,1-3H3
    • InChI Key： YQBNJPACAUPNLV-UHFFFAOYSA-N
    • SMILES： O1C2C=C3C(C=CC(=O)O3)=CC=2C(=C1C(C)C)OC

Computed Properties

  • Exact Mass: 258.08922
  • Monoisotopic Mass: 258.089209
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 390
  • 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: 48.7
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.4

Experimental Properties

  • Density: 1.1178 (rough estimate)
  • Melting Point: 84-87°; mp 95-97° (Schmid, Ebnther); mp 102.5° (Nikonov, Ivashenko)
  • Boiling Point: 321.52°C (rough estimate)
  • Flash Point: 209.6°C
  • Refractive Index: 1.4300 (estimate)
  • PSA: 48.67

7H-Furo[3,2-g][1]benzopyran-7-one,3-methoxy-2-(1-methylethyl)- Security Information

  • Toxicity：LD50 orally in mice: 315 mg/kg (Vermel, Kruglyak-Syrkina)

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