3-Isoxazolidone
PubChem CID: 192737
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| Compound Synonyms | ISOXAZOLIDIN-3-ONE, 1192-07-0, 3-Isoxazolidinone, 1,2-oxazolidin-3-one, 3-Isoxazolidone, DTXSID60152332, isoxazolidinone, hydroxyisoxazoline, MFCD11878032, DTXCID2074823, 4,5-Dihydro-3(2H)-isoxazolone, CHEBI:178224, AKOS016012379, CS-W019350, DS-2864, MB10654, DB-334343, A11072, EN300-216213 |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 6.0 |
| Description | Isolated from seedlings of Canavalia ensiformis (jack bean). 3-Isoxazolidinone is found in pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.2 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-oxazolidin-3-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C3H5NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QXDOFVVNXBGLKK-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.918 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.363 |
| Synonyms | 3-Isoxazolidone |
| Compound Name | 3-Isoxazolidone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 87.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 87.032 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 87.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.3042835999999999 |
| Inchi | InChI=1S/C3H5NO2/c5-3-1-2-6-4-3/h1-2H2,(H,4,5) |
| Smiles | C1CONC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Moschata (Plant) Rel Props:Source_db:cmaup_ingredients