Basic information
- CAS
887573-82-2- Standard SMILES
CCOC(=O)C=CC(=NO)C(=O)OCC- InChIKey
GLBWGBBRYJWTFT-UHFFFAOYSA-N- Molecular formula
- C9H13NO5
- Average molar mass
- 215.2 g/mol
- Monoisotopic mass
- 215.07937252
Names & identifiers
- Preferred name
- Diethyl 4-hydroxyiminopent-2-enedioate
- IUPAC
- diethyl 4-hydroxyiminopent-2-enedioate
- English name
- diethyl 4-(hydroxyimino)-2-pentenedioate
- Molecular formula
- C9H13NO5
- Molecular weight
- 215.2
Names & synonyms
diethyl 4-(hydroxyimino)-2-pentenedioate
Database identifiers
- CAS
887573-82-2- PubChem CID
- 57360896
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 324.09 · 324.090±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.161 · 1.161±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.324 · 8.324±0.10(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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