6-Methoxybenzofuran-5-carboxylic acid
PubChem CID: 13599932
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| Compound Synonyms | 6-methoxybenzofuran-5-carboxylic acid, CHEMBL3634198 |
|---|---|
| Topological Polar Surface Area | 59.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-1-benzofuran-5-carboxylic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Is Pains | False |
| Molecular Formula | C10H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYMADEQNQRCWFH-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 6-Methoxybenzofuran-5-carboxylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.042 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 192.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 192.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.521768285714286 |
| Inchi | InChI=1S/C10H8O4/c1-13-9-5-8-6(2-3-14-8)4-7(9)10(11)12/h2-5H,1H3,(H,11,12) |
| Smiles | COC1=C(C=C2C=COC2=C1)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients