CID 3920069
PubChem CID: 3920069
Connections displayed (default: 10).
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| Compound Synonyms | WBYWAXJHAXSJNI-UHFFFAOYSA-M |
|---|---|
| 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 | 3-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C9H7O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBYWAXJHAXSJNI-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Logs | -2.051 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.58 |
| Compound Name | CID 3920069 |
| 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 |
| Smiles | C1=CC=C(C=C1)C=CC(=O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Xanthium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Xanthium Strumarium (Plant) Rel Props:Source_db:cmaup_ingredients