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1H-Pyrazole,5-(2-furanyl)-4,5-dihydro-3-methyl-

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Name

1H-Pyrazole,5-(2-furanyl)-4,5-dihydro-3-methyl-

EINECS 237-076-1
CAS No. 13599-33-2 Density 1.25 g/cm3
PSA 37.53000 LogP 1.45430
Solubility N/A Melting Point N/A
Formula C8H10N2O Boiling Point 245.2 °C at 760 mmHg
Molecular Weight 150.18 Flash Point 102.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13599-33-2 (5-(2-furyl)-4,5-dihydro-3-methyl-1H-pyrazole) Hazard Symbols N/A
Synonyms

5-(2-Furyl)-4,5-dihydro-3-methyl-1H-pyrazole;5-(2-Furanyl)-4,5-dihydro-3-methyl-1H-pyrazole;

 

1H-Pyrazole,5-(2-furanyl)-4,5-dihydro-3-methyl- Specification

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

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