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CAS No.: | 7746-30-7 |
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Name: | 5,6-Dimethoxy-1H-indazole |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H10N2O2 |
Molecular Weight: | 178.191 |
Synonyms: | 5,6-DIMETHOXY-1H-INDAZOLE |
Density: | 1.245 g/cm3 |
Boiling Point: | 332.3 °C at 760 mmHg |
Flash Point: | 121.6 °C |
PSA: | 47.14000 |
LogP: | 1.58010 |
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This chemical has the systematic name 5,6-Dimethoxy-1H-indazole. With the molecular formula of C9H10N2O2, its molecular weight is 178.19. The CAS registry number of this chemical is 7746-30-7.
Other characteristics of the 5,6-Dimethoxy-1H-indazole can be summarised as followings: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 8.98; (6)ACD/BCF (pH 7.4): 8.98; (7)ACD/KOC (pH 5.5): 167.49; (8)ACD/KOC (pH 7.4): 167.51; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.14 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 49.97 cm3; (15)Molar Volume: 143.1 cm3; (16)Polarizability: 19.81×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 121.6 °C; (20)Enthalpy of Vaporization: 55.22 kJ/mol; (21)Boiling Point: 332.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000285 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: COc1cc2cnnc2cc1OC
2.InChI: InChI=1/C9H10N2O2/c1-12-8-3-6-5-10-11-7(6)4-9(8)13-2/h3-5H,1-2H3,(H,10,11)
3.InChIKey: HGEDPIMZZWIYDG-UHFFFAOYAZ