4-(5-Hydroxyisoxazol-3-yl)benzoic acid
Basic information
- CAS
178168-22-4- Standard SMILES
O=C(O)c1ccc(-c2cc(=O)o[nH]2)cc1- InChIKey
NOXDENOBLWNTCL-UHFFFAOYSA-N- Molecular formula
- C10H7NO4
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.0375077
Names & identifiers
- Preferred name
- 4-(5-Hydroxyisoxazol-3-yl)benzoic acid
- IUPAC
- 4-(5-oxo-2H-1,2-oxazol-3-yl)benzoic acid
Names & synonyms
2091988-18-84-(5-hydroxyisoxazol-3-yl)benzoic acid4-(5-oxo-2,5-dihydro-1,2-oxazol-3-yl)benzoic acid4-(5-oxo-2H-1,2-oxazol-3-yl)benzoic acidDTXSID4012848334-(5-Hydroxy-3-isoxazolyl)benzoic acid4-(5-Hydroxy-1,2-oxazol-3-yl)benzoic acidEN300-4958847178168-22-4
Database identifiers
- CAS
178168-22-4- PubChem CID
- 84721997
- DTXSID
DTXSID401284833
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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