1H-2-Benzopyran-3-carboxamide, N,N-dimethyl-1-oxo-4-phenyl-
Basic information
- CAS
41056-55-7- Standard SMILES
CN(C)C(=O)c1oc(=O)c2ccccc2c1-c1ccccc1- InChIKey
SHCSLUZWAHVEJO-UHFFFAOYSA-N- Molecular formula
- C18H15NO3
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.10519334
Names & identifiers
- Preferred name
- 1H-2-Benzopyran-3-carboxamide, N,N-dimethyl-1-oxo-4-phenyl-
- IUPAC
- N,N-dimethyl-1-oxo-4-phenylisochromene-3-carboxamide
- English name
- N,N-Dimethyl-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide
- Molecular formula
- C18H15NO3
- Molecular weight
- 293.32
Names & synonyms
BRN 1587613N,N-Dimethyl-1-oxo-4-phenyl-1H-2-benzopyran-3-carboxamide1H-2-BENZOPYRAN-3-CARBOXAMIDE, N,N-DIMETHYL-1-OXO-4-PHENYL-41056-55-7DTXSID901940285-18-08-00478 (Beilstein Handbook Reference)RefChem:237310DTXCID00116519
Database identifiers
- CAS
41056-55-7- PubChem CID
- 38753
- DTXSID
DTXSID90194028- Nikkaji
- J87.889H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 489
Physicochemical properties
- Boiling point
- 490.8 · 490.8±45.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- -0.84 · -0.84±0.20(Predicted)
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Related reactions
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Compound notes
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