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| CAS No.: | 88398-78-1 |
|---|---|
| Name: | 1H-Pyrazole-4-carboxylic acid, 1-methyl-, ethyl ester |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H10N2O3 |
| Molecular Weight: | 170.168 |
| Synonyms: | Ethyl 1-methyl-5-hydroxypyrazole-4-carboxylylate;Ethyl 5-hydroxy-1-methyl-1H-pyrazole-4-carboxylate; |
| Density: | 1.294 g/cm3 |
| Melting Point: | 138-139 °C(Solv: ethanol (64-17-5); ethyl ether (60-29-7)) |
| Boiling Point: | 268.078 °C at 760 mmHg |
| Flash Point: | 115.93 °C |
| PSA: | 64.09000 |
| LogP: | -0.10990 |
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- Total:13 Page 1 of 1 1
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Specification
The 1H-Pyrazole-4-carboxylic acid, 5-hydroxy-1-methyl-, ethyl ester, with the CAS registry number 88398-78-1, is also known as Ethyl 1-methyl-5-hydroxypyrazole-4-carboxylylate. This chemical's molecular formula is C7H10N2O3 and molecular weight is 170.17. What's more, its systematic name is ethyl 5-hydroxy-1-methyl-1H-pyrazole-4-carboxylate.
Physical properties of 1H-Pyrazole-4-carboxylic acid, 5-hydroxy-1-methyl-, ethyl ester are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 64.35 Å2; (7)Index of Refraction: 1.551; (8)Molar Refractivity: 41.986 cm3; (9)Molar Volume: 131.503 cm3; (10)Polarizability: 16.644×10-24cm3; (11)Surface Tension: 44.251 dyne/cm; (12)Density: 1.294 g/cm3; (13)Flash Point: 115.93 °C; (14)Enthalpy of Vaporization: 52.653 kJ/mol; (15)Boiling Point: 268.078 °C at 760 mmHg; (16)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cnn(C)c1O
(2)Std. InChI: InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4-8-9(2)6(5)10/h4,10H,3H2,1-2H3
(3)Std. InChIKey: LTOXGZKRFFELPY-UHFFFAOYSA-N