2-Isoxazolidinecarboxylic acid, 3-oxo-, ethyl ester
Basic information
- CAS
61982-48-7- Standard SMILES
CCOC(=O)N1OCCC1=O- InChIKey
ZTKRCMXEAVQRRR-UHFFFAOYSA-N- Molecular formula
- C6H9NO4
- Average molar mass
- 159.14 g/mol
- Monoisotopic mass
- 159.05315777
Names & identifiers
- Preferred name
- 2-Isoxazolidinecarboxylic acid, 3-oxo-, ethyl ester
- IUPAC
- ethyl 3-oxo-1,2-oxazolidine-2-carboxylate
Names & synonyms
ETHYL 3-OXO-1,2-OXAZOLIDINE-2-CARBOXYLATE2-Isoxazolidinecarboxylic acid, 3-oxo-, ethyl ester61982-48-7DTXSID80485997
Database identifiers
- CAS
61982-48-7- PubChem CID
- 12298331
- DTXSID
DTXSID80485997- Nikkaji
- J3.179.490K
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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