Basic information
- CAS
36839-09-5- Standard SMILES
O=C(O)C1CCNO1- InChIKey
AHKFLJODSRVDLO-UHFFFAOYSA-N- Molecular formula
- C4H7NO3
- Average molar mass
- 117.1 g/mol
- Monoisotopic mass
- 117.04259309
Overview
structure given in first source; RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 5-Oxaproline
- IUPAC
- 1,2-oxazolidine-5-carboxylic acid
- English name
- 5-oxaproline
- Molecular formula
- C4H7NO3
- Molecular weight
- 117.1
Names & synonyms
36839-09-5RefChem:1033325-Oxaproline1,2-oxazolidine-5-carboxylic acid5-Isoxazolidinecarboxylic acidDTXSID609580381,2-oxazolidine-5-carboxylicacid(+/-)isoxazolidine-5-carboxylic acidEN300-233500
Database identifiers
- CAS
36839-09-5- PubChem CID
- 3082452
- DTXSID
DTXSID60958038
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 246.9 · 246.9±50.0 °C(Predicted)
- Density
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- pka
- 2.52 · 2.52±0.20(Predicted)
Chemistry & industry
Suppliers1 total
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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