4-Methoxy-2,6-dimethylbenzoic acid
PubChem CID: 816764
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| Compound Synonyms | 2,6-DIMETHYL-4-METHOXYBENZOIC ACID, 37934-89-7, 4-methoxy-2,6-dimethylbenzoic acid, 2,6-Dimethyl-4-methoxybenzoicacid, MFCD01194287, Benzoic acid, 4-methoxy-2,6-dimethyl-, AB-131/25126040, SCHEMBL484746, GFWRERVOFRPXKB-UHFFFAOYSA-N, DTXSID301297647, CL9112, AKOS004907092, DA-39239, DS-12314, SY104048, CS-0094401, EN300-108416, Z1198156438 |
|---|---|
| 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-2,6-dimethylbenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GFWRERVOFRPXKB-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.393 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.988 |
| Compound Name | 4-Methoxy-2,6-dimethylbenzoic 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 | -2.5212970615384616 |
| Inchi | InChI=1S/C10H12O3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5H,1-3H3,(H,11,12) |
| Smiles | CC1=CC(=CC(=C1C(=O)O)C)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients