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| CAS No.: | 86625-25-4 |
|---|---|
| Name: | METHYL 5-HYDROXY-PYRAZOLE-3-CARBOXYLATE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C5H6N2O3 |
| Molecular Weight: | 142.114 |
| Synonyms: | 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester; |
| Density: | 1.338 g/cm3 |
| PSA: | 75.21000 |
| LogP: | -0.09810 |
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
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- Total:15 Page 1 of 1 1
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Specification
The 1H-Pyrazole-3-carboxylicacid, 2, 5-dihydro-5-oxo-, methyl ester, with the CAS registry number of 86625-25-4, is also known as 5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester. This chemical's molecular formula is C5H6N2O3. What's more, its IUPAC name is Methyl 5-oxo-1, 2-dihydropyrazole-3-carboxylate.
Physical properties about 1H-Pyrazole-3-carboxylicacid, 2, 5-dihydro-5-oxo-, methyl ester are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 8.21; (6)ACD/KOC (pH 7.4): 5.51; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.85 Å2; (11)Index of Refraction: 1.499; (12)Molar Refractivity: 31.21 cm3; (13)Molar Volume: 106.1 cm3; (14)Polarizability: 12.37×10-24 cm3; (15)Surface Tension: 42.8 dyne/cm; (16)Density: 1.338 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C(\C(=O)OC)NN1
(2) InChI: InChI=1/C5H6N2O3/c1-10-5(9)3-2-4(8)7-6-3/h2H,1H3,(H2,6,7,8)
(3) InChIKey: JTJZOTYGFHOHMK-UHFFFAOYAH