3-Ethoxy-2-nitroprop-2-enamide
Basic information
- CAS
98895-22-8- Standard SMILES
CCOC=C(C(N)=O)[N+](=O)[O-]- InChIKey
WTAXTRYSKFHZNJ-UHFFFAOYSA-N- Molecular formula
- C5H8N2O4
- Average molar mass
- 160.13 g/mol
- Monoisotopic mass
- 160.04840674
Names & identifiers
- Preferred name
- 3-Ethoxy-2-nitroprop-2-enamide
- IUPAC
- 3-ethoxy-2-nitroprop-2-enamide
- English name
- 2-Propenamide, 3-ethoxy-2-nitro-
- Molecular formula
- C5H8N2O4
- Molecular weight
- 160.13
Names & synonyms
SCHEMBL58479153-ethoxy-2-nitroprop-2-enamide2-Propenamide, 3-ethoxy-2-nitro-
Database identifiers
- CAS
98895-22-8- PubChem CID
- 54448184
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 350.595 · 350.595±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.746 · 11.746±0.50(predicted)
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Compound notes
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