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| CAS No.: | 1053655-56-3 |
|---|---|
| Name: | 1-Methyl-1H-indazole-4-carbaldehyde |
| Molecular Structure: | |
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| Formula: | C9H8N2O |
| Molecular Weight: | 160.1726 |
| Synonyms: | 4-Formyl-1-methyl-1H-indazole;1H-Indazole-4-carboxaldehyde, 1-methyl-; |
| Density: | 1.21 g/cm3 |
| Boiling Point: | 311.8 °C at 760 mmHg |
| Flash Point: | 142.4 °C |
| PSA: | 34.89000 |
| LogP: | 1.38580 |
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Specification
The 1-Methyl-1H-indazole-4-carbaldehyde, with the CAS registry number 1053655-56-3, is also known as 4-Formyl-1-methyl-1H-indazole and 1H-Indazole-4-carboxaldehyde, 1-methyl-. It belongs to the product categories of Building Blocks; Indazole. This chemical's molecular formula is C9H8N2O and molecular weight is 160.1726. What's more, its IUPAC name is called 1-Methylindazole-4-carbaldehyde.
Physical properties about 1-Methyl-1H-indazole-4-carbaldehyde are: (1)ACD/LogP: 1.35; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 34.89 Å2; (9)Index of Refraction: 1.622; (10)Molar Refractivity: 46.59 cm3; (11)Molar Volume: 132.2 cm3; (12)Polarizability: 18.47×10-24 cm3; (13)Surface Tension: 45.9 dyne/cm; (14)Density: 1.21 g/cm3; (15)Flash Point: 142.4 °C; (16)Enthalpy of Vaporization: 55.28 kJ/mol; (17)Boiling Point: 311.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000549 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2cccc1c2cnn1C
(2) InChI: InChI=1/C9H8N2O/c1-11-9-4-2-3-7(6-12)8(9)5-10-11/h2-6H,1H3
(3) InChIKey: SONWSIAHVBTXPB-UHFFFAOYAH