methyl 4-hydroxy-3-[(E)-N-hydroxy-C-propylcarbonimidoyl]benzoate
Basic information
- Standard SMILES
CCC/C(=N\O)c1cc(C(=O)OC)ccc1O- InChIKey
IOEWXFZRELVYHI-JLHYYAGUSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
Names & identifiers
- Preferred name
- methyl 4-hydroxy-3-[(E)-N-hydroxy-C-propylcarbonimidoyl]benzoate
- IUPAC
- methyl 4-hydroxy-3-[(E)-N-hydroxy-C-propylcarbonimidoyl]benzoate
Names & synonyms
SCHEMBL3347217
Database identifiers
- PubChem CID
- 136200566
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
4 records
Compound notes
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