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| CAS No.: | 34252-54-5 |
|---|---|
| Name: | 2-METHYL-2H-INDAZOLE-3-CARBALDEHYDE |
| Molecular Structure: | |
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| Formula: | C9H8N2O |
| Molecular Weight: | 160.175 |
| Synonyms: | 3-Formyl-2-methylindazole;2-Methyl-2H-indazole-3-carbaldehyde; |
| EINECS: | 604-604-1 |
| Density: | 1.21 g/cm3 |
| Melting Point: | 75-77 ºC |
| Boiling Point: | 342.6 °C at 760 mmHg |
| Flash Point: | 161 °C |
| PSA: | 34.89000 |
| LogP: | 1.38580 |
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Specification
The 2H-Indazole-3-carboxaldehyde,2-methyl-, with the CAS registry number 34252-54-5, is also known as 3-Formyl-2-methylindazole. This chemical's molecular formula is C9H8N2O and molecular weight is 160.17. What's more, its systematic name is 2-methylindazole-3-carbaldehyde.
Physical properties of 2H-Indazole-3-carboxaldehyde,2-methyl- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.831; (4)ACD/BCF (pH 5.5): 14.497; (5)ACD/KOC (pH 5.5): 235.97; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 34.89 Å2; (10)Index of Refraction: 1.622; (11)Molar Refractivity: 46.598 cm3; (12)Molar Volume: 132.252 cm3; (13)Surface Tension: 45.92 dyne/cm; (14)Density: 1.211 g/cm3; (15)Flash Point: 161.013 °C; (16)Enthalpy of Vaporization: 58.64 kJ/mol; (17)Boiling Point: 342.623 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=C2C=CC=CC2=N1)C=O
(2)InChI: InChI=1S/C9H8N2O/c1-11-9(6-12)7-4-2-3-5-8(7)10-11/h2-6H,1H3
(3)InChIKey: SMWLSZQHLMZHHV-UHFFFAOYSA-N