Basic information
- Standard SMILES
O=C(O)c1cc(-c2ccc(O)cc2)on1- InChIKey
PSQJYQJRWKEMEC-UHFFFAOYSA-N- Molecular formula
- C10H7NO4
- Average molar mass
- 205.17 g/mol
Names & identifiers
- Preferred name
- 5-(4-Hydroxyphenyl)isoxazole-3-carboxylic acid
- IUPAC
- 5-(4-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
Names & synonyms
5-(4-hydroxyphenyl)isoxazole-3-carboxylic acid33282-15-45-(4-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid5-(4-Hydroxy-phenyl)-isoxazole-3-carboxylic acidMFCD05237205TimTec1_004694SCHEMBL72786MLS0007161505-(4-HYDROXYPHENYL)-3-ISOXAZOLECARBOXYLIC ACIDCHEMBL1327656TIMTEC-BB SBB007150AKOS B022853
Show more names
PSQJYQJRWKEMEC-UHFFFAOYSA-NART-CHEM-BB B022853HMS1547F08HMS2632B07ALBB-007391SBB007150STK346753AKOS000266172
Database identifiers
- PubChem CID
- 1090983
- ChEMBL
CHEMBL1327656
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Related reactions
4 records
Compound notes
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