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| CAS No.: | 1159511-21-3 |
|---|---|
| Name: | 1-(1H-Indazol-4-yl)ethanone |
| Molecular Structure: | |
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| Formula: | C9H8N2O |
| Molecular Weight: | 160.18 |
| Synonyms: | 1-(1H-indazol-4-yl)ethanone;4-Acetyl-1H-indazole;1-(1H-Indazol-5-yl)ethan-1-one;1-(1H-Indazol-4-yl)ethan-1-one;Ethanone,1-(1H-indazol-4-yl)- |
| Density: | 1.264 g/cm3 |
| Boiling Point: | 348.8 °C at 760 mmHg |
| Flash Point: | 168.8 °C |
| PSA: | 45.75000 |
| LogP: | 1.76550 |
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Specification
The 1-(1H-Indazol-4-yl)ethanone, with the CAS registry number of 1159511-21-3, is also known as Ethanone, 1-(1H-indazol-4-yl)-. It belongs to the product categories of Building Blocks; Indazole. This chemical's molecular formula is C9H8N2O and molecular weight is 160.17262.
Physical properties about the 1-(1H-Indazol-4-yl)ethanone are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.75 Å2; (9)Index of Refraction: 1.658; (10)Molar Refractivity: 46.64 cm3; (11)Molar Volume: 126.6 cm3; (12)Surface Tension: 58.3 dyne/cm; (13)Density: 1.264 g/cm3; (14)Flash Point: 168.8 °C; (15)Enthalpy of Vaporization: 59.33 kJ/mol; (16)Boiling Point: 348.8 °C at 760 mmHg; (17)Vapour Pressure: 4.9E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1cccc2c1cn[nH]2
(2) InChI: InChI=1/C9H8N2O/c1-6(12)7-3-2-4-9-8(7)5-10-11-9/h2-5H,1H3,(H,10,11)
(3) InChIKey: KNEPJECVXQDROO-UHFFFAOYAW