Methoxybenzoic acid
PubChem CID: 3783514
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| Compound Synonyms | 4-Methoxybenzoate, Methoxybenzoic acid, p-anisate, p-methoxybenzoate, 4-anisate, methoxybenzoic acids, 4-methoxybenzoate, 4, BDBM23435, CHEBI:16639, CHEBI:25238, DTXCID101473669, DTXSID601015375, Q27102009 |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 131.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C8H7O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZEYHEAKUIGZSGI-UHFFFAOYSA-M |
| Fcsp3 | 0.125 |
| Logs | -2.324 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.309 |
| Compound Name | Methoxybenzoic acid |
| 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 | -2.8820105636363635 |
| Inchi | InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)/p-1 |
| Smiles | COC1=CC=C(C=C1)C(=O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients