Cas no 64356-85-0 (1H,7H-Cyclopropa[c]benzofuran-4,7(3aH)-dione,5-[(1Z)-1-chloro-1-propen-1-yl]-1a,2-dihydro-3a-hydroxy-2,2-dimethyl-,(1aR,3aS,7aS)-)

1H,7H-Cyclopropa[c]benzofuran-4,7(3aH)-dione,5-[(1Z)-1-chloro-1-propen-1-yl]-1a,2-dihydro-3a-hydroxy-2,2-dimethyl-,(1aR,3aS,7aS)- structure
64356-85-0 structure
Product Name:1H,7H-Cyclopropa[c]benzofuran-4,7(3aH)-dione,5-[(1Z)-1-chloro-1-propen-1-yl]-1a,2-dihydro-3a-hydroxy-2,2-dimethyl-,(1aR,3aS,7aS)-
CAS No:64356-85-0
MF:C14H15ClO4
MW:282.719503641129
CID:512495
PubChem ID:119025718
Update Time:2025-04-19

1H,7H-Cyclopropa[c]benzofuran-4,7(3aH)-dione,5-[(1Z)-1-chloro-1-propen-1-yl]-1a,2-dihydro-3a-hydroxy-2,2-dimethyl-,(1aR,3aS,7aS)- Chemical and Physical Properties

Names and Identifiers

    • 1H,7H-Cyclopropa[c]benzofuran-4,7(3aH)-dione,5-[(1Z)-1-chloro-1-propen-1-yl]-1a,2-dihydro-3a-hydroxy-2,2-dimethyl-,(1aR,3aS,7aS)-
    • (1aR,3aS,7aR)-5-[(Z)-1-chloroprop-1-enyl]-3a-hydroxy-2,2-dimethyl-1,1a-dihydrocyclopropa[c][1]benzofuran-4,7-dione
    • mycorrhizin A
    • UNII-O7W86LD6QZ
    • O7W86LD6QZ
    • MYCORRHIZIN A, (+)-
    • Q27285453
    • 1H,7H-CYCLOPROPA(C)BENZOFURAN-4,7(3AH)-DIONE, 5-((1Z)-1-CHLORO-1-PROPEN-1-YL)-1A,2-DIHYDRO-3A-HYDROXY-2,2-DIMETHYL-, (1AR,3AS,7AS)-
    • 64356-85-0
    • 1H,7H-CYCLOPROPA(C)BENZOFURAN-4,7(3AH)-DIONE, 5-(1-CHLORO-1-PROPENYL)-1A,2-DIHYDRO-3A-HYDROXY-2,2-DIMETHYL-, (1AR-(1A.ALPHA.,3A.BETA.,5(Z),7AS*))-
    • DTXSID401031686
    • CCRIS 7936
    • (+)-MYCORRHIZIN A
    • Inchi： 1S/C14H15ClO4/c1-4-8(15)7-5-10(16)13-6-9(13)12(2,3)19-14(13,18)11(7)17/h4-5,9,18H,6H2,1-3H3/b8-4-/t9-,13-,14+/m0/s1
    • InChI Key： CQHWXFJMBUFHLX-NMACGQAHSA-N
    • SMILES： Cl/C(=C\C)/C1=CC([C@@]23[C@](C1=O)(O)OC(C)(C)[C@@H]2C3)=O

Computed Properties

  • Exact Mass: 282.06595
  • Monoisotopic Mass: 282.0658866g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 574
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.6?2
  • XLogP3: 1

Experimental Properties

  • Density: 1.4
  • Boiling Point: 415.4°Cat760mmHg
  • Flash Point: 205°C
  • Refractive Index: 1.597
  • PSA: 63.6

1H,7H-Cyclopropa[c]benzofuran-4,7(3aH)-dione,5-[(1Z)-1-chloro-1-propen-1-yl]-1a,2-dihydro-3a-hydroxy-2,2-dimethyl-,(1aR,3aS,7aS)- Related Literature

Related Categories

64356-85-0 (1H,7H-Cyclopropa[c]benzofuran-4,7(3aH)-dione,5-[(1Z)-1-chloro-1-propen-1-yl]-1a,2-dihydro-3a-hydroxy-2,2-dimethyl-,(1aR,3aS,7aS)-) Related Products

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