Methyl 2-hydroxy-3,4-dimethoxybenzoate
PubChem CID: 5319678
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| Compound Synonyms | methyl 2-hydroxy-3,4-dimethoxybenzoate, 6395-23-9, SCHEMBL1434290, ODKFBQCYKKPNLJ-UHFFFAOYSA-N, AKOS040734606, FS-8455, Methyl 3,4-dimethoxy-2-hydroxybenzoate, 2-hydroxy-3,4-dimethoxy-benzoic acid methyl ester |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 218.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-hydroxy-3,4-dimethoxybenzoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H12O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ODKFBQCYKKPNLJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.363 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.966 |
| Compound Name | Methyl 2-hydroxy-3,4-dimethoxybenzoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 212.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3909461999999997 |
| Inchi | InChI=1S/C10H12O5/c1-13-7-5-4-6(10(12)15-3)8(11)9(7)14-2/h4-5,11H,1-3H3 |
| Smiles | COC1=C(C(=C(C=C1)C(=O)OC)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients