Cinnamate
PubChem CID: 5957728
Connections displayed (default: 10).
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| Compound Synonyms | cinnamate, Cinnamic acid, ion(1-), 2-Propenoic acid, 3-phenyl-, ion(1-), 4151-45-5, (2E)-3-phenylprop-2-enoate, (E)-3-phenylprop-2-enoate, 3-phenylacrylate, beta-Phenylacrylic acid, 3-phenyl-2-propenoate, 3-phenylprop-2-enoate, (E)-cinnamate (incorrect), trans-cinnamate (incorrect), trans-cinnamic acid (incorrect), CHEBI:15669, CHEBI:23248, WBYWAXJHAXSJNI-VOTSOKGWSA-M, STL299661, 3-phenyl-2-propenoic acid, ion(1-), AKOS022140092, (E)-3-phenyl-2-prop -2-enoic acid, Q27109755 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C9H7O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBYWAXJHAXSJNI-VOTSOKGWSA-M |
| Fcsp3 | 0.0 |
| Logs | -2.615 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.527 |
| Compound Name | Cinnamate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.045 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 147.045 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 147.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2919849636363634 |
| Inchi | InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/p-1/b7-6+ |
| Smiles | C1=CC=C(C=C1)/C=C/C(=O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Plumbago Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients