Propionate ion
PubChem CID: 104745
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | propionate, propanoate, 72-03-7, Propanoic acid anion, Propionate ion, EtCO2 anion, Propanoic acid, ion(1-), metacetonate, propanate, pseudoacetate, carboxylatoethane, ethanecarboxylate, AKW5EM890C, ethylformate, PROPANOATE ION, UNII-AKW5EM890C, CH3-CH2-COO(-), CHEBI:17272, ANION STANDARD - PROPIONATE, Sentry Grain Preservative, CHEMBL500826, NCGC00159468-02, DTXSID90222279, BDBM50257201, STL483862, AKOS015901051, NCGC00159468-03, NCGC00159468-04, A839578, Q862450 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 34.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | propanoate |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C3H5O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | XBDQKXXYIPTUBI-UHFFFAOYSA-M |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.856 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.36 |
| Compound Name | Propionate ion |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 73.029 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 73.029 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 73.07 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2980401999999998 |
| Inchi | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1 |
| Smiles | CCC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients