826-62-0
PubChem CID: 13223
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| Compound Synonyms | 826-62-0, 5-Norbornene-2,3-dicarboxylic anhydride, 3a,4,7,7a-Tetrahydro-4,7-methanoisobenzofuran-1,3-dione, Nadic anhydride, 2-Norbornene-5,6-dicarboxylic anhydride, 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, 3,6-Endomethylenetetrahydrophthalic anhydride, 5-Norbornene-2,3-dicarboxylic acid anhydride, Endomethylenetetrahydrophthalic anhydride, Methylenetetrahydrophthalic anhydride, NSC 3999, Norbornenedicarboxylic acid anhydride, EINECS 212-557-9, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride, 129-64-6, 1,2,3,6-Tetrahydro-3,6-methanophthalic anhydride, DTXSID0047456, 4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, cis-5-Norbornene-exo-2,3-dicarboxylic anhydride, Nadic Anhydride (NA), MFCD00630580, 3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydride, cis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride, DTXCID8027456, 5-Norbornene-endo-2,3-dicarboxylic anhydride, Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove, Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove [Czech], bicyclo[2.2.1]-5-heptene-2,3-dicarboxylic anhydride, BICYCLO(2.2.1)-HEPT-5-ENE-2,3-DICARBOXYLIC ANHYDRIDE, 3,6-Endomethylene-.DELTA.4-tetrahydrophthalic anhydride, 3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1,3-dione, 3,6-Endomethylenephthalic anhydride, 1,2,3,6-tetrahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-3a,4,7,7a-Tetrahydro-4,7-methano-isobenzofuran-1,3-dione, cis-5-Norbornene-endo-2,3-dicarboxylic anhydride, Exo-cis-5-Norbornene-2,3-dicarboxylic anhydride, Bicyclo[2.2.1]-hept-5-ene-2,3-dicarboxylic anhydride, Nadic anhydrous, 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.alpha.,7.alpha.,7a.alpha.)-, 5-Norbornene-2, cis-exo-, NCIOpen2_001832, SCHEMBL27496, endo,3-dicarboxylic anhydride, CHEMBL268522, 3, 1,2,3,6-tetrahydro-, NSC3999, 2Norbornene5,6dicarboxylic anhydride, Tox21_300273, BBL010668, Cyclopentadienemaleic anhydride adduct, NSC102277, NSC110659, STL146298, AKOS000121029, AKOS016352932, CS-W017913, FN01613, SB66305, 5-norbomene-2,3-dicarboxylic anhydride, NCGC00247985-01, NCGC00254212-01, WLN: T556/FJ 2AE J BVOV IUTJ, CAS-826-62-0, cis-3,2,3,6-tetrahydropthalic anhydride, SY067019, VS-02608, exo-3,2,3,6-tetrahydrophthalic anhydride, 3,6Endomethylenetetrahydrophthalic anhydride, DB-050505, endo-3,2,3,6-tetrahydrophthalic anhydride, N0331, N0767, NS00038218, NS00079549, EN300-18013, 1,2,3,6Tetrahydro3,6methanophthalic anhydride, E83026, 3,6Methylene1,2,3,6tetrahydrophthalic anhydride, 5-Norbornene-2,3-dicarboxylic anhydride (8CI), Bicyclo(2.2.1)hept5ene2,3dicarboxylic anhydride, endo,cis-5-Norbornene-2,3-dicarboxylic anhydride, exo-cis-5-norbornene-2, 3-dicarboxylic anhydride, 4-oxatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione, Bicyclo[2,2,1]5-heptene-2,3-dicarboxylic anhydride, bicyclo[2.2.1]hept-5-en-2,3-dicarboxylic anhydride, 1,3Cyclopentadiene, compd. with 2,5furandione (1:1), 3,6Endomethylenephthalic anhydride, 1,2,3,6tetrahydro, 4,7Methanoisobenzofuran1,3dione, 3a,4,7,7atetrahydro, bicyclo[2. 2. 1]hept-5-ene-2,3-dicarboxylic anhydride, bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid anhydride, Bicyclo[2.2.1]hept-5-ene-exo-2,3-dicarboxylic Anhydride, 4-OXATRICYCLO[5.2.1.0(2),?]DEC-8-ENE-3,5-DIONE, Anhydrid kyseliny 3,6endomethylendelta(sup 4)tetrahydroftalove, Bicyclo[2.2.1hept-5-ene-2-endo,3-endo-dicarboxylic anhydride, Anhydrid kyseliny 3,6-endomethylen-.delta.(sup 4)-tetrahydroftalove, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid endo-cis-anhydride, (3at,7at)-3a,4,7,7a-tetrahydro-4r,7c-methano-isobenzofuran-1,3-dione, Himic anhydride, cis-5-Norbornene-endo-2,3-dicarboxylic acid anhydride, 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)- |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 277.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C9H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KNDQHSIWLOJIGP-UHFFFAOYSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -2.428 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.057 |
| Compound Name | 826-62-0 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 164.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2735919999999998 |
| Inchi | InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2 |
| Smiles | C1C2C=CC1C3C2C(=O)OC3=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Smithii (Plant) Rel Props:Source_db:cmaup_ingredients