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CAS No.: | 13599-33-2 |
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Name: | 5-(2-furyl)-4,5-dihydro-3-methyl-1H-pyrazole |
Molecular Structure: | |
Formula: | C8H10N2O |
Molecular Weight: | 150.18 |
Synonyms: | 5-(2-Furyl)-4,5-dihydro-3-methyl-1H-pyrazole;5-(2-Furanyl)-4,5-dihydro-3-methyl-1H-pyrazole; |
EINECS: | 237-076-1 |
Density: | 1.25 g/cm3 |
Boiling Point: | 245.2 °C at 760 mmHg |
Flash Point: | 102.1 °C |
PSA: | 37.53000 |
LogP: | 1.45430 |
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The 1H-Pyrazole,5-(2-furanyl)-4,5-dihydro-3-methyl-, with the CAS registry number 13599-33-2, is also known as 5-(2-Furyl)-4,5-dihydro-3-methyl-1H-pyrazole. Its EINECS number is 237-076-1. This chemical's molecular formula is C8H10N2O and molecular weight is 150.18. What's more, its IUPAC name is 5-(furan-2-yl)-3-methyl-4,5-dihydro-1H-pyrazole.
Physical properties of 1H-Pyrazole,5-(2-furanyl)-4,5-dihydro-3-methyl- are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.58; (8)ACD/KOC (pH 7.4): 16.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.74 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 41.62 cm3; (15)Molar Volume: 119.2 cm3; (16)Polarizability: 16.5×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 102.1 °C; (20)Enthalpy of Vaporization: 48.23 kJ/mol; (21)Boiling Point: 245.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0291 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(/C)CC(N/1)c2occc2
(2)Std. InChI: InChI=1S/C8H10N2O/c1-6-5-7(10-9-6)8-3-2-4-11-8/h2-4,7,10H,5H2,1H3
(3)Std. InChIKey: POVUPBQCSNLILG-UHFFFAOYSA-N