| Weight | 203.197 g/mol |
|---|---|
| Formula | C11H9NO3 |
| Hydrogen Acceptors | 3 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 2 |
| Rotatable Bonds | 2 |
5-Methyl-3-phenylisoxazole-4-carboxylic acid (1136-45-4)
1136-45-4
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LabBot
- FT-IR, Laser-Raman spectra and computational analysis of 5-Methyl-3-phenylisoxazole-4-carboxylic acid (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 1136-45-4
-
SMILESCC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
-
InChIKeyPENHKTNQUJMHIR-UHFFFAOYSA-N
- Pubchem - 5-Methyl-3-phenylisoxazole-4-carboxylic acid
- Wikipedia - 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
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Most-cited Publications
Safety
Trends
Alternate Names
Estimated Properties
| Boiling Point | 342.1 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 364.05 C | EPI Suite |
| Density | 1.26 g/cm3 | EPA T.E.S.T. |
| Flash Point | 168.56 C | EPA T.E.S.T. |
| Melting Point | 135.11 C | EPI Suite |
| Water Solubility | 95.03 mg/L | EPA T.E.S.T. |
| Water Solubility | 222.23 mg/L | EPI Suite |
External Links
Synthesis
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