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CAS No.: | 51986-17-5 |
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Name: | Ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H10N2O3 |
Molecular Weight: | 170.168 |
Synonyms: | 1-Methyl-3-carbethoxy-5-hydroxypyrazole;2-Methyl-3-hydroxy-5-(ethoxycarbonyl)pyrazole;3-Ethoxycarbonyl-5-hydroxy-1-methylpyrazole;5-Hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester;Ethyl5-hydroxy-1-methyl-3-pyrazolecarboxylate; |
Density: | 1.29 g/cm3 |
Melting Point: | 140-141 °C |
Boiling Point: | 337.216 °C at 760 mmHg |
Flash Point: | 157.743 °C |
PSA: | 64.35000 |
LogP: | 0.30240 |
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The cas register number of Ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate is 51986-17-5. It also can be called as 1H-Pyrazole-3-carboxylicacid, 5-hydroxy-1-methyl-, ethyl ester and the IUPAC Name about this chemical is ethyl 2-methyl-3-oxo-1H-pyrazole-5-carboxylate.
Physical properties about Ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate are: (1)ACD/LogP: 1.85; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 38; (5)ACD/KOC (pH 7.4): 31; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 64.35Å2; (10)Index of Refraction: 1.551; (11)Molar Refractivity: 41.986 cm3; (12)Molar Volume: 131.503 cm3; (13)Polarizability: 16.644x10-24cm3; (14)Surface Tension: 44.251 dyne/cm; (15)Enthalpy of Vaporization: 60.345 kJ/mol.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC(=O)N(N1)C
(2)InChI: InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4-6(10)9(2)8-5/h4,8H,3H2,1-2H3
(3)InChIKey: OMGLOQRFAJAMTB-UHFFFAOYSA-N