7-Hydroxy-N-(2-hydroxyethyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Basic information
- CAS
79050-06-9- Standard SMILES
O=C(NCCO)c1cc2ccc(O)cc2oc1=O- InChIKey
MFDHNLFEBWFUKL-UHFFFAOYSA-N- Molecular formula
- C12H11NO5
- Average molar mass
- 249.22 g/mol
- Monoisotopic mass
- 249.06372245
Names & identifiers
- Preferred name
- 7-Hydroxy-N-(2-hydroxyethyl)-2-oxo-2H-1-benzopyran-3-carboxamide
- IUPAC
- 7-hydroxy-N-(2-hydroxyethyl)-2-oxochromene-3-carboxamide
- English name
- 7-hydroxy-N-(2-hydroxyethyl)-2-oxo-2H-1-benzopyran-3-carboxamide
- Molecular formula
- C12H11NO5
- Molecular weight
- 249.22
Names & synonyms
79050-06-97-Hydroxy-N-(2-hydroxyethyl)-2-oxo-2H-1-benzopyran-3-carboxamide7-Hydroxycoumarin-3-(N-(2-hydroxyethyl))carboxamideDTXSID002295172H-1-Benzopyran-3-carboxamide, 7-hydroxy-N-(2-hydroxyethyl)-2-oxo-RefChem:1061987-HCHCADTXCID50152008279-046-0EINECS 279-046-0SCHEMBL11073365NS00038022
Show more names
N-(2-hydroxyethyl)-7-hydroxycoumarin-3-carboxamide
Database identifiers
- CAS
79050-06-9- PubChem CID
- 5487549
- DTXSID
DTXSID00229517- EC Number
- 279-046-0
- Nikkaji
- J319.215F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 645.1 · 645.1±55.0 °C(Predicted)
- Density
- 1.487 · 1.487±0.06 g/cm3(Predicted)
- pka
- 7.45 · 7.45±0.20(Predicted)
Related reactions
2 records
Compound notes
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