3,5-Dimethyl-p-anisic acid
PubChem CID: 88944
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| Compound Synonyms | 3,5-Dimethyl-4-methoxybenzoic acid, 21553-46-8, 4-methoxy-3,5-dimethylbenzoic acid, 3,5-Dimethyl-p-anisic acid, DTXSID70175890, EINECS 244-441-9, MFCD00020309, 3,5-Dimethyl anisic acid, Benzoic acid, 4-methoxy-3,5-dimethyl-, 3,5-Dimethyl-4-methoxybenzoicacid, SCHEMBL312132, DTXCID1098381, CHEBI:228339, WXVQURJGDUNJCS-UHFFFAOYSA-N, CL8059, 3,5-dimethyl-4-methoxy-benzoic acid, 4-methoxy-3,5-dimethyl benzoic acid, AKOS000298700, CS-W017202, DS-1774, FD03324, FS-1704, SY014273, 3,5-Dimethyl-4-methoxybenzoic acid, 97%, DB-045616, M2139, NS00015311, EN300-125645, AE-562/43460588, Z361435118, 244-441-9 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-3,5-dimethylbenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WXVQURJGDUNJCS-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -3.35 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.81 |
| Compound Name | 3,5-Dimethyl-p-anisic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.195447461538461 |
| Inchi | InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12) |
| Smiles | CC1=CC(=CC(=C1OC)C)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rheum Wittrocki (Plant) Rel Props:Source_db:cmaup_ingredients