2-Isoxazolidinecarboxylic acid, ethyl ester
Basic information
- CAS
54020-55-2- Standard SMILES
CCOC(=O)N1CCCO1- InChIKey
PGPQZSDFRTWCCZ-UHFFFAOYSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.07389321
Names & identifiers
- Preferred name
- 2-Isoxazolidinecarboxylic acid, ethyl ester
- IUPAC
- ethyl 1,2-oxazolidine-2-carboxylate
- English name
- 2-Isoxazolidinecarboxylicacid,ethylester(9CI)
- Molecular formula
- C6H11NO3
- Molecular weight
- 145.16
Names & synonyms
54020-55-22-Isoxazolidinecarboxylic acid, ethyl esterethyl isoxazolidine-2-carboxylateDTXSID203364192-Isoxazolidine carboxylic acid, ethyl esterRefChem:87750DTXCID70287508InChI=1/C6H11NO3/c1-2-9-6(8)7-4-3-5-10-7/h2-5H2,1HPGPQZSDFRTWCCZ-UHFFFAOYSA-Nethyl 1,2-oxazolidine-2-carboxylateN-(ethoxycarbonyl)isoxazolidineN-carbethoxyisooxazolidine
Show more names
2-Isoxazolidinecarboxylic acid ethyl ester2-Isoxazolidinecarboxylicacid,ethylester(9CI)
ethoxycarbonylisoxazolidinSCHEMBL2771098Ethyl 2-isoxazolidinecarboxylate #DA-26046
Database identifiers
- CAS
54020-55-2- PubChem CID
- 533691
- DTXSID
DTXSID20336419- Nikkaji
- J101.397A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 112 °C · 112 °C(Press: 16 Torr)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- -2.21 · -2.21±0.20(Predicted)
Related reactions
4 records
Compound notes
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