Methyl 3-hydroxy-2-methoxybenzoate
PubChem CID: 14815291
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| Compound Synonyms | METHYL 3-HYDROXY-2-METHOXYBENZOATE, 2169-25-7, Benzoic acid, 3-hydroxy-2-methoxy-, methyl ester, DTXSID70564341, SCHEMBL1050662, CHEMBL2252249, DTXCID30515117, NKRCBDHKPQKBBU-UHFFFAOYSA-N, MFCD11520388, AKOS006324945, methyl 3-hydroxy-2-(methyloxy)benzoate, BS-15981, DB-351956, CS-0160008, D82749 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 3-hydroxy-2-methoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C9H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NKRCBDHKPQKBBU-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.662 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.985 |
| Compound Name | Methyl 3-hydroxy-2-methoxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 182.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.171423461538461 |
| Inchi | InChI=1S/C9H10O4/c1-12-8-6(9(11)13-2)4-3-5-7(8)10/h3-5,10H,1-2H3 |
| Smiles | COC1=C(C=CC=C1O)C(=O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients