| Weight | 140.142 g/mol |
|---|---|
| Formula | C6H8N2O2 |
| Hydrogen Acceptors | 2 |
| Hydrogen Donors | 2 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 3 |
3-(1H-Pyrazol-4-yl)propanoic acid (1174309-53-5)
1174309-53-5
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- Sigma-Aldrich - Search for 3-(1H-Pyrazol-4-yl)propanoic acid
- Fisher Scientific - Search for 3-(1H-Pyrazol-4-yl)propanoic acid
- TCI - Search for 3-(1H-Pyrazol-4-yl)propanoic acid
- 3-[1-(4-Sulfamoylphenyl)-5-p-tolyl-1H-pyrazol-3-yl]propanoic acid and 3-[5-(4-bromophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazol-3-yl]propanoic acid-dichloromethane-diethyl ether-water (2/0.72/1/1). (Acta Crystallographica Section C-crystal Structure Communications, 2009)
- Solid forms of (s)-2-amino-3-(4-(2-amino-6-((r)-1-(4-chloro-2-(3-methyl-1h-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid (2011)
- Crystalline forms of ( s ) - 2 - amino - 3 - (4 - ( 2 - amino - 6 - ( (r) - 1 - (4 - ch loro-2- (3 -methyl- 1h- pyrazol- 1 -yl) phenyl) - 2, 2, 2 - trifluoroethoxy) pyrimidin- 4 - yl) phenyl) propanoic acid (2011)
-
Predict GHS Hazards for Any Chemical in silico.
Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more. - 1174309-53-5
-
SMILESC1=C(C=NN1)CCC(=O)O
-
InChIKeyYOFXFEFEHOILIF-UHFFFAOYSA-N
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Most-cited Publications
Safety
Alternate Names
Estimated Properties
| Boiling Point | 314.51 C | EPA T.E.S.T. |
|---|---|---|
| Boiling Point | 329.27 C | EPI Suite |
| Density | 1.37 g/cm3 | EPA T.E.S.T. |
| Flash Point | 179.21 C | EPA T.E.S.T. |
| Melting Point | 113.31 C | EPI Suite |
| Water Solubility | 14421.2 mg/L | EPA T.E.S.T. |
| Water Solubility | 220720 mg/L | EPI Suite |
External Links
Synthesis
Reactant
+
dimethyl sulfide
(Corey-Kim oxidation of secondary alcohols)
Similar Compounds
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3-(1H-Pyrazol-4-yl)propanoic acid
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