Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2ccc(O)c(C)c2)no1- InChIKey
MZTFQHKIUKWTHJ-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(4-hydroxy-3-methylphenyl)-5-isoxazolecarboxylate
- IUPAC
- ethyl 3-(4-hydroxy-3-methylphenyl)-1,2-oxazole-5-carboxylate
Names & synonyms
SCHEMBL4699904MZTFQHKIUKWTHJ-UHFFFAOYSA-Nethyl 3-(4-hydroxy-3-methylphenyl)-5-isoxazolecarboxylate
Database identifiers
- PubChem CID
- 136368683
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
2 records
Compound notes
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