Cas no 3642-06-6 (1,4,5,8-Tetrahydro-4a,8a-naphthalindicarbonsaeureanhydrid)

1,4,5,8-Tetrahydro-4a,8a-naphthalindicarbonsaeureanhydrid structure
3642-06-6 structure
Product Name:1,4,5,8-Tetrahydro-4a,8a-naphthalindicarbonsaeureanhydrid
CAS No:3642-06-6
MF:C12H12O3
MW:204.221883773804
CID:921321
PubChem ID:265139
Update Time:2025-04-19

1,4,5,8-Tetrahydro-4a,8a-naphthalindicarbonsaeureanhydrid Chemical and Physical Properties

Names and Identifiers

    • 1,4,5,8-Tetrahydro-4a,8a-naphthalindicarbonsaeureanhydrid
    • Bicyclo<4.4.0>deca-3,8-dien-1,6-dicarbonsaeureanhydrid;Bicyclo<4.2.2>deca-2,4,7,9-tetraene;Bicyclo<4,2,2>decatetraen;Bicyclo<4.2.2>-deca-2,4,7,9-tetraen;Bicyclo<4.3.1>deca-2,4,7-trienylkation;1,4,5,8-Tetrahydro-naphthalin-4a,8a-dicarbonsaeure-anhydrid;1,4,4a,5,8,8a-hexahydronaphthalene-cis-4a,8a-dicarboxylic anhydride;1,4,5,8-tetrahydro-naphthalene-4a,8a-dicarboxylic acid-anhydride;
    • NSC100962
    • RCL T169781
    • NCIOpen2_006975
    • NSC-100962
    • AKOS024329252
    • 3642-06-6
    • Inchi： 1S/C12H12O3/c13-9-11-5-1-2-6-12(11,10(14)15-9)8-4-3-7-11/h1-4H,5-8H2
    • InChI Key： AVUXPNMUBVSYQO-UHFFFAOYSA-N
    • SMILES： O1C(C23CC=CCC2(C1=O)CC=CC3)=O

Computed Properties

  • Exact Mass: 204.07900
  • Monoisotopic Mass: 204.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 349
  • 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
  • XLogP3: 1.6
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37000
  • LogP: 1.74260

1,4,5,8-Tetrahydro-4a,8a-naphthalindicarbonsaeureanhydrid Related Literature

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