Tetrahydrophthalic anhydride
PubChem CID: 6810
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| Compound Synonyms | 85-43-8, TETRAHYDROPHTHALIC ANHYDRIDE, 1,2,3,6-Tetrahydrophthalic anhydride, 3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione, Tetrahydroftalanhydrid, Rikacid TH, 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione, Tetrahydrophthalic acid anhydride, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, Memtetrahydro phtalic anhydride, THPA, 4-Cyclohexene-1,2-dicarboxylic acid anhydride, 4-Cyclohexene-1,2-dicarboxylic anhydride, Anhydrid kyseliny tetrahydroftalove, 1,2,3,6-Tetrahydrophthalic acid anhydride, 1,3-Isobenzofurandione, tetrahydro-, NSC 82642, Tetrahydroftalanhydrid [Czech], HSDB 846, Phthalic anhydride, 1,2,3,6-tetrahydro-, EINECS 201-605-4, EINECS 247-570-9, delta(4)-Tetrahydrophthalic anhydride, BRN 0082340, delta(sup 4)-Tetrahydrophthalic anhydride, delta-(sup4)-Tetrahydrophthalic anhydride, DTXSID3026516, 1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-dione, AI3-22626, Anhydrid kyseliny tetrahydroftalove [Czech], Tetrahydrophthalsaeureanhydrid, DTXCID306516, CHEBI:180650, EC 201-605-4, 5-17-11-00134 (Beilstein Handbook Reference), MFCD00065335, 26266-63-7, Rikacid THPA, Tetrahydrophthalic Anhydride(THPA), 3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione, 3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione, UN2698, 3a,4,7,7a-tetrahydro-1,3-isobenzofurandione, 4,7,3a,7a-tetrahydroisobenzofuran-1,3-dione, 4-Cyclohexene-1, trans-, Tetrahydrophthalic anhydrides, CHEMBL8001, NCIOpen2_001003, (3aR,7aS)-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, UN 2698 (Salt/Mix), SCHEMBL169100, WLN: T56 BVOV GUTJ, 3a,4,7,7a-Tetrahydro-isobenzofuran-1,3-dione, Butadienemaleic anhydride adduct, 1, 3a,4,7,7a-tetrahydro-, 1,3,6-Tetrahydrophthalic anhydride, BCA26823, NSC82642, PDA61423, delta(4)Tetrahydrophthalic anhydride, Tox21_202210, 1,2,3,6tetrahydrophthalic anhydride, BBL011743, NSC292900, STL163382, 4Cyclohexene1,2dicarboxylic anhydride, .DELTA.4-Tetrahydrophthalic anhydride, AKOS000119224, AKOS016352935, cyclohexene-4,5-dicarboxylic anhydride, Phthalic anhydride,2,3,6-tetrahydro-, .delta.-4-Tetrahydrophthalic anhydride, CS-W019332, delta(sup4)Tetrahydrophthalic anhydride, NSC-292900, 1, 3a,4,7,7a-tetrahydro-, trans-, CAS-85-43-8, cis-DELTA4-Tetrahydrophthalic Anhydride, delta(sup 4)Tetrahydrophthalic anhydride, Phthalic anhydride, 1,2,3,6tetrahydro, 1,3,6-Tetrahydrophthalic acid anhydride, NCGC00249188-01, NCGC00259759-01, 1,2,3,6Tetrahydrophthalic acid anhydride, AC-19634, DELTA1-TETRAHYDROPHTHALIC ANHYDRIDE, DELTA4-TETRAHYDROPHTHALIC ANHYDRIDE, FT157585, trans-1,3,6-Tetrahydrophthalic anhydride, 4Cyclohexene1,2dicarboxylic acid anhydride, DB-050508, DB-057412, .delta.-(sup4)-Tetrahydrophthalic anhydride, 1,3Isobenzofurandione, 3a,4,7,7atetrahydro, NS00008366, 1-cyclohexene-1,2-dicarboxylic acid anhydride, EN300-18012, Cyclohex-4-en-1,2-dicarboxylic acid anhydride, D77853, 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione #, AB-131/40207535, CYCLOHEX-4-EN-1,2-DICARBOXYLIC ANHYDRIDE, Q26840954, F0001-2250, (3Ar,7ar)-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione, 1-CYCLOHEXENE-1,2-DICARBOXYLIC ACID, CYCLIC ANHYDRIDE, 4-CYCLOHEXENE-1,2-DICARBOXYLIC ACID ANHYDRIDE (CIS), 1,2,3,6-Tetrahydrophthalic anhydride, 1,2,3,6-Tetrahydrophthalic anhydride, 4-Cyclohexene-1,2-dicarboxylic anhydride, 201-605-4, 247-570-9 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 218.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275 |
| Iupac Name | 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C8H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMOUUZVZFBCRAM-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.164 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.432 |
| Compound Name | Tetrahydrophthalic anhydride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2621238 |
| Inchi | InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2 |
| Smiles | C1C=CCC2C1C(=O)OC2=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all