2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-
PubChem CID: 181581
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| Compound Synonyms | 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)-, AKOS028111155, DB-015158, Q4596785 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,5-dihydroxyphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JXIPYOZBOMUUCA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.142 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.845 |
| Compound Name | 2-Propenoic acid, 3-(2,5-dihydroxyphenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 180.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.8973242615384613 |
| Inchi | InChI=1S/C9H8O4/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5,10-11H,(H,12,13) |
| Smiles | C1=CC(=C(C=C1O)C=CC(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tussilago Farfara (Plant) Rel Props:Source_db:cmaup_ingredients