Basic information
- CAS
77316-78-0- Standard SMILES
Nc1ccc(-c2coc3cc(O)ccc3c2=O)cc1- InChIKey
JZBZOLLJUPZBRG-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 3-(4-aminophenyl)-7-hydroxy-4H-chromen-4-one
- IUPAC
- 3-(4-aminophenyl)-7-hydroxychromen-4-one
- English name
- 3-(4-aminophenyl)-7-hydroxy-4H-chromen-4-one
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
3-(4-aminophenyl)-7-hydroxy-4H-chromen-4-one77316-78-03-(4-aminophenyl)-7-hydroxychromen-4-one4H-1-Benzopyran-4-one, 3-(4-aminophenyl)-7-hydroxy-SCHEMBL4684766DTXSID60651678MFCD01544342STK925797AKOS005177229VS-092093-(4-aminophenyl)-7-hydroxy-chromen-4-oneCS-0331091
Show more names
ST510652893-(4-Aminophenyl)-7-hydroxy-4H-1-benzopyran-4-one
Database identifiers
- CAS
77316-78-0- PubChem CID
- 28811126
- DTXSID
DTXSID60651678
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 265 · 265-266 °C(Solv: ethanol (64-17-5))
- Boiling point
- 516 · 516.0±50.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- pka
- 7.08 · 7.08±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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