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| CAS No.: | 88529-79-7 |
|---|---|
| Name: | 1H-Pyrazole-3-carboxylicacid,1-methyl-,ethylester(9CI) |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H10N2O2 |
| Molecular Weight: | 154.169 |
| Synonyms: | 1H-Pyrazole-3-carboxylicacid,1-methyl-,ethylester(9CI);ethyl 1-Methyl-1H-pyrazole-3-carboxylate;Et 1-Methyl-1H-Pyrazole-3-carboxylate;1H-Pyrazole-3-carboxylic acid, 1-Methyl-, ethyl ester;1-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester |
| Density: | 1.149 g/cm3 |
| Boiling Point: | 238.538 °C at 760 mmHg |
| Flash Point: | 98.065 °C |
| PSA: | 44.12000 |
| LogP: | 0.59680 |
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- Total:24 Page 1 of 1 1
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Specification
The 1H-Pyrazole-3-carboxylicacid, 1-methyl-, ethyl ester is an organic compound with the formula C7H10N2O2. The systematic name of this chemical is ethyl 1-methyl-1H-pyrazole-3-carboxylate. With the CAS registry number 88529-79-7, it is also named as ethyl 1-methylpyrazole-3-carboxylate. The product's category is Glycinescaffold.
Physical properties about 1H-Pyrazole-3-carboxylicacid, 1-methyl-, ethyl ester are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 56; (7)ACD/KOC (pH 7.4): 56; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 44.12 Å2; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 41.134 cm3; (13)Molar Volume: 134.153 cm3; (14)Polarizability: 16.307×10-24cm3; (15)Surface Tension: 38.192 dyne/cm; (16)Density: 1.149 g/cm3; (17)Flash Point: 98.065 °C; (18)Enthalpy of Vaporization: 47.54 kJ/mol; (19)Boiling Point: 238.538 °C at 760 mmHg; (20)Vapour Pressure: 0.042 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nn(cc1)C
(2)InChI: InChI=1/C7H10N2O2/c1-3-11-7(10)6-4-5-9(2)8-6/h4-5H,3H2,1-2H3
(3)InChIKey: QSICLAHSIQPDMB-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-5-9(2)8-6/h4-5H,3H2,1-2H3
(5)Std. InChIKey: QSICLAHSIQPDMB-UHFFFAOYSA-N