2-Furoate
PubChem CID: 5460151
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Furoate, furan-2-carboxylate, L-THFA, CHEBI:16739, 2-Furancarboxylate, -Furancarboxylic acid, Q27102053, 16053-89-7 |
|---|---|
| Topological Polar Surface Area | 53.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | furan-2-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C5H3O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | SMNDYUVBFMFKNZ-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Logs | -0.688 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.714 |
| Compound Name | 2-Furoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 111.008 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 111.008 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 111.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9520711999999998 |
| Inchi | InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)/p-1 |
| Smiles | C1=COC(=C1)C(=O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Codium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cornus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Drynaria Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trifolium Pratense (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients