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34020-22-9

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Basic Information
CAS No.: 34020-22-9
Name: ETHYL 5-(2-FURYL)-1H-PYRAZOLE-3-CARBOXYLATE
Molecular Structure:
Molecular Structure of 34020-22-9 (ETHYL 5-(2-FURYL)-1H-PYRAZOLE-3-CARBOXYLATE)
Formula: C10H10N2O3
Molecular Weight: 206.201
Synonyms: ETHYL 5-(2-FURYL)-1H-PYRAZOLE-3-CARBOXYLATE;Ethyl 5-fur-2-yl-1H-pyrazole-3-carboxylate;Ethyl 5-fur-2-yl-1H-pyrazole-3-carboxylate 97%
Density: 1.261 /cm3
Melting Point: 137-138 °C
Boiling Point: 404.3 °C at 760 mmHg
Flash Point: 198.3 °C
PSA: 68.12000
LogP: 1.84640
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Specification

This chemical is called 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-, ethyl ester, and its systematic name is ethyl 3-furan-2-yl-1H-pyrazole-5-carboxylate. With the molecular formula of C10H10N2O3, its molecular weight is 206.20. The CAS registry number of this chemical is 34020-22-9.

Other characteristics of the 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.32; (6)ACD/BCF (pH 7.4): 21.3; (7)ACD/KOC (pH 5.5): 310.99; (8)ACD/KOC (pH 7.4): 310.78; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.26 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 52.07 cm3; (15)Molar Volume: 163.4 cm3; (16)Polarizability: 20.64×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 198.3 °C; (20)Enthalpy of Vaporization: 65.57 kJ/mol; (21)Boiling Point: 404.3 °C at 760 mmHg; (22)Vapour Pressure: 9.53E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.ILES: =C(OCC)c2nnc(c1occc1)c2
2.ChI: nChI=1/C10H10N2O3/c1-2-14-10(13)8-6-7(11-12-8)9-4-3-5-15-9/h3-6H,2H2,1H3,(H,11,12)
3.ChIKey: SVBXAZEQDJUOY-UHFFFAOYAV