2-Methoxybenzoate
PubChem CID: 6950218
Connections displayed (default: 10).
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| Compound Synonyms | 2-methoxybenzoate, O-methylsalicylate, o-methoxybenzoic acid anion, CHEBI:59128, ILUJQPXNXACGAN-UHFFFAOYSA-M, DTXSID001299870, STL231658, AKOS016027660, Benzoic acid, 2-methoxy-, ion(1-), 16887-70-0, Q27126477 |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C8H7O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILUJQPXNXACGAN-UHFFFAOYSA-M |
| Fcsp3 | 0.125 |
| Logs | -2.348 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.416 |
| Compound Name | 2-Methoxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.04 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 151.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 151.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9324105636363638 |
| Inchi | InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1 |
| Smiles | COC1=CC=CC=C1C(=O)[O-] |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients