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CAS No.: | 4002-83-9 |
---|---|
Name: | 1-METHYL-1H-INDAZOLE-3-CARBALDEHYDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H8N2O |
Molecular Weight: | 160.17 |
Synonyms: | 3-Formyl-1-methylindazole;1-Methyl-1H-indazole-3-carboxaldehyde; |
Density: | 1.21 g/cm3 |
Melting Point: | 61 °C |
Boiling Point: | 311.8 °C at 760 mmHg |
Flash Point: | 142.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 34.89000 |
LogP: | 1.38580 |
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The CAS register number of 1H-Indazole-3-carboxaldehyde,1-methyl- is 4002-83-9. It also can be called as 3-Formyl-1-methylindazole and the systematic name about this chemical is 1-methyl-1H-indazole-3-carbaldehyde. The molecular formula about this chemical is C9H8N2O and the molecular weight is 160.17.
Physical properties about 1H-Indazole-3-carboxaldehyde,1-methyl- are: (1)ACD/LogP: 1.35; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 34.89Å2; (5)Index of Refraction: 1.622; (6)Molar Refractivity: 46.59 cm3; (7)Molar Volume: 132.2 cm3; (8)Polarizability: 18.47x10-24cm3; (9)Surface Tension: 45.9 dyne/cm; (10)Enthalpy of Vaporization: 55.28 kJ/mol; (11)Boiling Point: 311.8 °C at 760 mmHg; (12)Vapour Pressure: 0.000549 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2nn(c1ccccc12)C
(2)InChI: InChI=1/C9H8N2O/c1-11-9-5-3-2-4-7(9)8(6-12)10-11/h2-6H,1H3
(3)InChIKey: KYDLGYCLCFKUHY-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H8N2O/c1-11-9-5-3-2-4-7(9)8(6-12)10-11/h2-6H,1H3
(5)Std. InChIKey: KYDLGYCLCFKUHY-UHFFFAOYSA-N