3-Nitroso-2-oxazolidinone
Basic information
- CAS
38347-74-9- Standard SMILES
O=NN1CCOC1=O- InChIKey
MDACSTFMCAQQET-UHFFFAOYSA-N- Molecular formula
- C3H4N2O3
- Average molar mass
- 116.08 g/mol
- Monoisotopic mass
- 116.02219199
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Nitroso-2-oxazolidinone
- IUPAC
- 3-nitroso-1,3-oxazolidin-2-one
- English name
- 2-Oxazolidinone, 3-nitroso-
- Molecular formula
- C3H4N2O3
- Molecular weight
- 116.08
Names & synonyms
3-Nitroso-2-oxazolidinone3-Nitroso-2-oxazolidone38347-74-92-Oxazolidinone, 3-nitroso-8U5UJN2H6WDTXSID9021007RefChem:95053DTXCID9010073-Nitrosooxazolidin-2-one3-nitroso-1,3-oxazolidin-2-oneCCRIS 5276Furazolidone Impurity 13
Show more names
UNII-8U5UJN2H6WN-nitroso-oxazolidin-2-oneCHEMBL12205SCHEMBL2346858MFCD02752193NITROSO-2-OXAZOLIDINONE, 3-SY520549DB-270624
Database identifiers
- CAS
38347-74-9- PubChem CID
- 148247
- DTXSID
DTXSID9021007- ChEMBL
CHEMBL12205- UNII
- 8U5UJN2H6W
- Nikkaji
- J45.990I
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 50 · 50-53 °C
- Boiling point
- 143.1 · 143.1±23.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- -2.8 · -2.80±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 U5UJN2H6W · 8U5UJN2H6W
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Related reactions
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Compound notes
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