N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)acetamide
Basic information
- CAS
21626-90-4- Standard SMILES
CC(=O)Nc1ccc2c(c1)C(=O)OC2- InChIKey
CLPDGZLMLHDCOY-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)acetamide
- IUPAC
- N-(3-oxo-1H-2-benzofuran-5-yl)acetamide
- English name
- Acetamide, N-(1,3-dihydro-3-oxo-5-isobenzofuranyl)-
- Molecular formula
- C10H9NO3
- Molecular weight
- 191.18
Names & synonyms
21626-90-4N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)acetamideN-(3-Oxo-1,3-dihydroisobenzofuran-5-yl)acetamideN-(1,3-Dihydro-3-oxo-5-isobenzofuranyl)acetamideSCHEMBL2195036DTXSID40358517AI-559/14806012Acetamide, N-(1,3-dihydro-3-oxo-5-isobenzofuranyl)-
Database identifiers
- CAS
21626-90-4- PubChem CID
- 901385
- DTXSID
DTXSID40358517
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 494.1 · 494.1±45.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 14.69 · 14.69±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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