1,4-Cyclohex-2-enedione
PubChem CID: 138275
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| Compound Synonyms | 2-Cyclohexene-1,4-dione, 4505-38-8, 1,4-Cyclohex-2-enedione, cyclohex-2-ene-1,4-dione, DTXSID40196370, dihydro-quinone, Cyclohex-2-en-1,4-dion, 2-Cyclohexene-1,4-dione #, SCHEMBL451440, DTXCID50118861, AKOS006278156, DB-240149 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohex-2-ene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C6H6O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPMMYQITJVUZAT-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.011 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.89 |
| Compound Name | 1,4-Cyclohex-2-enedione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 110.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.037 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 110.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.33369439999999995 |
| Inchi | InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-2H,3-4H2 |
| Smiles | C1CC(=O)C=CC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients