diethyl 5-hydroxy-2H-1,2,5-oxadiazole-3,4-dicarboxylate
Basic information
- CAS
18417-40-8- Standard SMILES
CCOC(=O)C1=C(C(=O)OCC)N(O)ON1- InChIKey
LJUBOXRZRMDGQL-UHFFFAOYSA-N- Molecular formula
- C8H12N2O6
- Average molar mass
- 232.19 g/mol
- Monoisotopic mass
- 232.06953611
Names & identifiers
- Preferred name
- diethyl 5-hydroxy-2H-1,2,5-oxadiazole-3,4-dicarboxylate
- IUPAC
- diethyl 5-hydroxy-2H-1,2,5-oxadiazole-3,4-dicarboxylate
- English name
- diethyl 1,2,5-oxadiazole-3,4-dicarboxylate 2-oxide
- Molecular formula
- C8H10N2O6
- Molecular weight
- 230.17
Names & synonyms
NSC 98298diethyl 5-hydroxy-2H-1,2,5-oxadiazole-3,4-dicarboxylateDiethyl 2-hydroxy-1,2lambda(5),5-oxadiazole-3,4-dicarboxylateEthyl dicarboxylate furoxanEthyl dicarboxylate based furazan oxide3,4-Bis(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide2-Oxy-furazan-3,4-dicarboxylic acid diethyl esterdiethyl 1,2,5-oxadiazole-3,4-dicarboxylate 2-oxide1,2,5-Oxadiazole-3,4-dicarboxylic acid, 3,4-diethyl ester, 5-oxide
Database identifiers
- CAS
18417-40-8- PubChem CID
- 494071
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 161 · 161-162 °C
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- -4.77 · -4.77±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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Compound notes
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