Dimethyl 3,5-dimethoxyphthalate
PubChem CID: 3447295
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| Compound Synonyms | Dimethyl 3,5-dimethoxyphthalate, 24953-73-9, 3,5-Dimethoxy-1,2-benzenedicarboxylic acid dimethyl ester, 1,2-Benzenedicarboxylic acid, 3,5-dimethoxy-, 1,2-dimethyl ester, Dimethyl 3,5-dimethoxybenzene-1,2-dicarboxylate, Dimethyl3,5-dimethoxyphthalate, SCHEMBL24379065, DTXSID001334416 |
|---|---|
| Topological Polar Surface Area | 71.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dimethyl 3,5-dimethoxybenzene-1,2-dicarboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C12H14O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JUKQMQKLYKDEFP-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.415 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.767 |
| Compound Name | Dimethyl 3,5-dimethoxyphthalate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 254.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 254.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2560422666666664 |
| Inchi | InChI=1S/C12H14O6/c1-15-7-5-8(11(13)17-3)10(12(14)18-4)9(6-7)16-2/h5-6H,1-4H3 |
| Smiles | COC1=CC(=C(C(=C1)OC)C(=O)OC)C(=O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients