2-(4-Hydroxyphenyl)propionate
PubChem CID: 9543338
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| Compound Synonyms | 2-(4-Hydroxyphenyl)propionate, ZHMMPVANGNPCBW-UHFFFAOYSA-M, AKOS024437600, 2-(4-Hydroxyphenyl) propionic acid, 4-Hydroxycinnamoate, 4-Hydroxycinnamic acid, 4-Hydroxyhydratropate, (4-Hydroxyphenyl)-2-propionic acid |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C9H9O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHMMPVANGNPCBW-UHFFFAOYSA-M |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.155 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.523 |
| Compound Name | 2-(4-Hydroxyphenyl)propionate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 165.055 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 165.055 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 165.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0911416 |
| Inchi | InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)/p-1 |
| Smiles | CC(C1=CC=C(C=C1)O)C(=O)[O-] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Abutilon Theophrasti (Plant) Rel Props:Source_db:cmaup_ingredients