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Basic Information
CAS No.: 3968-40-9
Name: 1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE
Molecular Structure:
Molecular Structure of 3968-40-9 (1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE)
Formula: C11H10N2O
Molecular Weight: 186.213
Synonyms: Ketone,methyl 1-phenylpyrazol-4-yl (6CI,7CI,8CI);4-Acetyl-1-phenylpyrazole;
Density: 1.13 g/cm3
Boiling Point: 316 °C at 760 mmHg
Flash Point: 144.9 °C
Hazard Symbols: IrritantXi
PSA: 34.89000
LogP: 2.07490
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Specification

The CAS register number of Ethanone,1-(1-phenyl-1H-pyrazol-4-yl)- is 3968-40-9. It also can be called as 4-Acetyl-1-phenyl-1H-pyrazole and the systematic name about this chemical is 1-(1-phenyl-1H-pyrazol-4-yl)ethanone. The molecular formula about this chemical is C11H10N2O and the molecular weight is 186.2099.

Physical properties about Ethanone,1-(1-phenyl-1H-pyrazol-4-yl)- are: (1)ACD/LogP: 1.56; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 34.89Å2; (5)Index of Refraction: 1.593; (6)Molar Refractivity: 55.81 cm3; (7)Molar Volume: 164.5 cm3; (8)Polarizability: 22.12x10-24cm3; (9)Surface Tension: 43 dyne/cm; (10)Flash Point: 144.9 °C; (11)Enthalpy of Vaporization: 55.73 kJ/mol; (12)Boiling Point: 316 °C at 760 mmHg; (13)Vapour Pressure: 0.000422 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cn(nc1)c2ccccc2)C
(2)InChI: InChI=1/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3
(3)InChIKey: ZZLLGMSBHKIMHK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3
(5)Std. InChIKey: ZZLLGMSBHKIMHK-UHFFFAOYSA-N