3-(4-Aminophenyl)-1,2-oxazole-5-carboxylic acid
Basic information
- CAS
860367-71-1- Standard SMILES
Nc1ccc(-c2cc(C(=O)O)on2)cc1- InChIKey
LMZCNXMLWIIYDP-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- 3-(4-Aminophenyl)-1,2-oxazole-5-carboxylic acid
- IUPAC
- 3-(4-aminophenyl)-1,2-oxazole-5-carboxylic acid
- English name
- 3-(4-Amino-phenyl)-isoxazole-5-carboxylic acid
- Molecular formula
- C10H8N2O3
- Molecular weight
- 204.18
Names & synonyms
860367-71-13-(4-Aminophenyl)isoxazole-5-carboxylic acid3-(4-aminophenyl)-1,2-oxazole-5-carboxylic acid3-(4-AMINO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACIDDTXSID20702135DB-2936193-(4-Aminophenyl)isoxazole-5-carboxylicacid3-(4-Amino-phenyl)-isoxazole-5-carboxylicacid3-Isoxazolecarboxylic acid, 5-(4-aminophenyl)-
Database identifiers
- CAS
860367-71-1、951626-02-1- PubChem CID
- 53439751
- DTXSID
DTXSID20702135
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 489.1 · 489.1±35.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- 3.59 · 3.59±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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