cis-2-Coumarate
PubChem CID: 54714352
Connections displayed (default: 10).
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| Compound Synonyms | cis-2-coumarate, coumarinate, cis-2-Hydroxycinnamate, CHEBI:47921, (2Z)-3-(2-hydroxyphenyl)acrylate, (2Z)-3-(2-hydroxyphenyl)prop-2-enoate, Q27120848 |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(Z)-2-carboxyethenyl]phenolate |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C9H7O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMOWTIHVNWZYFI-WAYWQWQTSA-M |
| Fcsp3 | 0.0 |
| Logs | -1.564 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.877 |
| Compound Name | cis-2-Coumarate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.04 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 163.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 163.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.3684423999999997 |
| Inchi | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/p-1/b6-5- |
| Smiles | C1=CC=C(C(=C1)/C=C\C(=O)O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Asparagus Officinalis (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 Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ficus Simplicissima (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Hydrocotyle Sibthorpioides (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Impatiens Siculifer (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Picea Abies (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Verbascum Thapsus (Plant) Rel Props:Source_db:cmaup_ingredients