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| CAS No.: | 197079-26-8 |
|---|---|
| Name: | 1H-Pyrazole-5-carboxylicacid,1-methyl-,ethylester(9CI) |
| Molecular Structure: | |
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| Formula: | C7H10N2O2 |
| Molecular Weight: | 154.1665 |
| Synonyms: | Ethyl 1-methyl-1H-pyrazole-5-carboxylate; |
| Density: | 1.149 g/cm3 |
| Boiling Point: | 238.538 °C at 760 mmHg |
| Flash Point: | 98.065 °C |
| Safety: | 24/25 |
| PSA: | 44.12000 |
| LogP: | 0.59680 |
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Specification
The 1H-Pyrazole-5-carboxylicacid, 1-methyl-, ethyl ester, with the CAS registry number 197079-26-8, is also known as Ethyl 1-methyl-1H-pyrazole-5-carboxylate. It belongs to the product categories of Carboxylicester; Glycinescaffold; API intermediates. This chemical's molecular formula is C7H10N2O2 and molecular weight is 154.1665. What's more, its systematic name is also called Ethyl 1-methyl-1H-pyrazole-5-carboxylate.
Physical properties about 1H-Pyrazole-5-carboxylicacid, 1-methyl-, ethyl ester are: (1)ACD/LogP: 0.86; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 56; (8)ACD/KOC (pH 7.4): 56; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 41.134 cm3; (15)Molar Volume: 134.153 cm3; (16)Polarizability: 16.307×10-24 cm3; (17)Surface Tension: 38.192 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 98.065 °C; (20)Enthalpy of Vaporization: 47.54 kJ/mol; (21)Boiling Point: 238.538 °C at 760 mmHg; (22)Vapour Pressure: 0.042 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccnn1C
(2) InChI: InChI=1/C7H10N2O2/c1-3-11-7(10)6-4-5-8-9(6)2/h4-5H,3H2,1-2H3
(3) InChIKey: UONYZXPIJGYYJC-UHFFFAOYAN