Basic information
- Standard SMILES
CCc1c(C(=O)O)noc1-c1ccccc1- InChIKey
CARAXDOTYSFQIL-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 4-Ethyl-5-phenylisoxazole-3-carboxylic acid
- IUPAC
- 4-ethyl-5-phenyl-1,2-oxazole-3-carboxylic acid
Names & synonyms
4-ethyl-5-phenylisoxazole-3-carboxylic acid1236188-97-8SCHEMBL2564471CARAXDOTYSFQIL-UHFFFAOYSA-NAKOS005350038
Database identifiers
- PubChem CID
- 54846563
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Related reactions
3 records
Compound notes
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