Basic information
- CAS
446879-46-5- Standard SMILES
CC(=O)NC12CC1C(=O)OC2=O- InChIKey
GWSZMLBLFAHPIW-UHFFFAOYSA-N- Molecular formula
- C7H7NO4
- Average molar mass
- 169.13 g/mol
Names & identifiers
- Preferred name
- N-(2,4-dioxo-3-oxabicyclo[3.1.0]hexan-1-yl)acetamide
- IUPAC
- N-(2,4-dioxo-3-oxabicyclo[3.1.0]hexan-1-yl)acetamide
- English name
- Acetamide, N-(2,4-dioxo-3-oxabicyclo[3.1.0]hex-1-yl)- (9CI)
- Molecular formula
- C7H7NO4
- Molecular weight
- 169.13
Names & synonyms
446879-46-51-(acetylamino)cyclopropane-1,2-dicarboxylic anhydrideAcetamide, N-(2,4-dioxo-3-oxabicyclo[3.1.0]hex-1-yl)-Acetamide, N-(2,4-dioxo-3-oxabicyclo[3.1.0]hex-1-yl)- (9CI)
Database identifiers
- CAS
446879-46-5
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 490.5 · 490.5±34.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 12.8 · 12.80±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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