2-Hydroxyethyl propionate
PubChem CID: 545098
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| Compound Synonyms | 2-Hydroxyethyl propionate, 24567-27-9, 2-hydroxyethyl propanoate, 1,2-Ethanediol, 1-propanoate, 2-Hydroxyethyl propanaoate, MFCD25961488, Propanoic acid, 2-hydroxyethyl ester, Ethylene glycol, monopropionate, hydroxyethylpropionate, 2-hydroxyethylpropionate, SCHEMBL213301, DTXSID10621149, Propionic acid 2-hydroxyethyl ester, propionic acid 2-hydroxy-ethyl ester, AKOS030525234, SB84467, AS-59269, SY301488, A11774, EN300-1272986, 870-006-3 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxyethyl propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C5H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFAMKDPMPDEXGH-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | 0.642 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.246 |
| Compound Name | 2-Hydroxyethyl propionate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 118.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 118.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.5643816 |
| Inchi | InChI=1S/C5H10O3/c1-2-5(7)8-4-3-6/h6H,2-4H2,1H3 |
| Smiles | CCC(=O)OCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients