Cas no 51154-98-4 ( )

  structure
  structure
Product Name: 
CAS No:51154-98-4
MF:C8H8O4
MW:168.146722793579
CID:934874
PubChem ID:93004
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • Norcantharidin
    • (3ac,7ac)-hexahydro-4r,7c-epioxido-isobenzofuran-1,3-dione
    • 3-Oxa-7,9-dithiabicyclo[3.3.1]nonane
    • 3-Oxa-7,9-dithiabicyclo< 3,3,1> nonan
    • 3-Oxa-7,9-dithiabicyclo< 3.3.1> nonan
    • 7-oxa-bicyclo[2.2.1]hepta
    • 7-Oxa-norbornan-2endo,3endo-dicarbonsaeure-anhydrid
    • 7-oxa-norbornane-2endo,3endo-dicarboxylic acid-anhydride
    • CTK1B6869
    • endo-endo-Bicyclo-3-oxa-7,9-dithia< 3.3.1> nonan
    • endo-hexahydro-4,7-epoxyisobenzofuran-1,3-dione
    • 4,10-dioxatricyclo[5.2.1.0<2,6>]decane-3,5-dione
    • Spectrum_001667
    • 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-
    • NCGC00015756-06
    • NCGC00094161-02
    • NCGC00094161-01
    • STK424286
    • exo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride
    • KBioSS_002147
    • NCTD
    • 29745-04-8
    • (+/-)-NCTD
    • 3, hexahydro-
    • SR-01000076037-1
    • NSC148536
    • Spectrum2_001683
    • KBio2_004715
    • SDCCGSBI-0050807.P003
    • WLN: T C555 A AO DVOVTJ
    • DTXSID30884158
    • 51154-98-4
    • 4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
    • 4,3-dione, hexahydro-
    • LP00830
    • FS-4623
    • NSC-148536
    • Spectrum5_001514
    • NCGC00261515-01
    • KBioGR_001122
    • Spectrum3_001634
    • (+/-)-Norcantharidin
    • NSC 14003
    • CS-0009119
    • Tox21_500830
    • CCG-39454
    • MLS002153470
    • TIMTEC-BB SBB005955;4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-;4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione
    • hexahydro-4,7-epoxy-2-benzofuran-1,3-dione
    • NSC-59023
    • EU-0100830
    • N 8784
    • SPBio_001606
    • YSCH0101
    • Phthalic anhydride,6-endoxo-
    • Endothall anhydride
    • 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride
    • 4,10-Dioxatricyclo[5.2.1.0(2,6)]decane-3,5-dione; 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride
    • HMS3262F21
    • NSC14003
    • Lopac0_000830
    • Q15425762
    • 4,10-Dioxa-tricyclo[5.2.1.02,6]decane-3,5-dione
    • NCGC00015756-14
    • HY-N0585
    • NCGC00015756-09
    • KBio1_001944
    • CHEBI:197221
    • NCGC00015756-05
    • NCGC00094161-05
    • NCGC00094161-03
    • DB-050518
    • SCHEMBL177729
    • BCP09826
    • EXO-7-OXA-BICYCLO(2.2.1)-HEPTANE-2,3-DICARBOXYLIC ANHYDRIDE
    • DEMETHYL-CANTHARIDIN
    • Phthalic anhydride, hexahydro-3,6-endoxo-
    • AKOS022167759
    • NCGC00015756-08
    • 3,6-Endoxohexahydrophthalic anhydride, exo isomer
    • BCP25426
    • (Rac)-Norcantharidin
    • NCI60_001019
    • MFCD00213361
    • SpecPlus_000904
    • KBio2_007283
    • NCGC00094161-06
    • NSC59023
    • SR-01000076037
    • NCGC00094161-04
    • Hexahydro-4,7-epoxyisobenzofuran-1,3-dione
    • BSPBio_003327
    • 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride
    • RAC-NORCANTHARIDIN
    • 3,6-Endoxohexahydrophthalic anhydride
    • s3759
    • SMR000326693
    • BRD-A66914119-001-04-0
    • 5442-12-6
    • Spectrum4_000601
    • NSC-14003
    • HMS3370H07
    • SPECTRUM1504153
    • KBio2_002147
    • Norcantharadine
    • KBio3_002547
    • NCGC00015756-07
    • CHEMBL8327
    • NCGC00015756-04
    • DivK1c_007000
    • 3,6-Endooxyphthalic anhydride, hexahydro-
    • Norcantharidin, solid
    • AKOS003267901
    • NCGC00015756-03
    • Exo-cis-Hexahydro-4,7-epoxyisobenzofuran-1,3-dione; Endothall anhydride
    • &nbsp;
    • Inchi： 1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2
    • InChI Key： JAABVEXCGCXWRR-UHFFFAOYSA-N
    • SMILES： O1C2CCC1C1C(=O)OC(C12)=O

Computed Properties

  • Exact Mass: 168.04200
  • Monoisotopic Mass: 168.04225873g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 246
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.60000
  • LogP: -0.13660

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