Basic information
- CAS
382644-75-9- Standard SMILES
NC(=O)N/N=C/c1coc2ccc(O)cc2c1=O- InChIKey
CETIJPIMOIQYIS-YIXHJXPBSA-N- Molecular formula
- C11H9N3O4
- Average molar mass
- 247.21 g/mol
- Monoisotopic mass
- 247.05930578
Names & identifiers
- Preferred name
- [(E)-(6-hydroxy-4-oxochromen-3-yl)methylideneamino]urea
- IUPAC
- [(E)-(6-hydroxy-4-oxochromen-3-yl)methylideneamino]urea
Names & synonyms
(E)-2-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)hydrazinecarboxamide[(E)-(6-hydroxy-4-oxochromen-3-yl)methylideneamino]urea382644-75-9MLS000777658CHEMBL3199574DTXSID501327802AKOS022133712SMR000414052(2E)-2-[(6-Hydroxy-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazine-1-carboxamide
Database identifiers
- CAS
382644-75-9- PubChem CID
- 6887754
- DTXSID
DTXSID501327802- ChEMBL
CHEMBL3199574
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
Solubility10.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…