Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1C(=O)C(=O)O- InChIKey
AOCSZSZQDRJODL-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 5-Methyl-3-phenyl-4-isoxazoloyl carboxylic acid
- IUPAC
- 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-2-oxoacetic acid
Names & synonyms
5-methyl-3-phenyl-4-isoxazoloyl carboxylic acidSCHEMBL10929681AOCSZSZQDRJODL-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20265152
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
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