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CAS No.: | 1007219-73-9 |
---|---|
Name: | Methyl 1-methylindazole-6-carboxylate |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C10H10N2O2 |
Molecular Weight: | 190.20 |
Synonyms: | 6-Methoxycarbonyl-1-methylindazole;Methyl 1-methylindazole-6-carboxylate; |
Density: | 1.235 g/cm3 |
Boiling Point: | 313.086 °C at 760 mmHg |
Flash Point: | 143.149 °C |
PSA: | 44.12000 |
LogP: | 1.35990 |
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The 1-Methyl-1H-indazole-6-carboxylic acid methyl ester, with the CAS registry number 1007219-73-9, is also known as Methyl 1-methyl-1H-indazole-6-carboxylate. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.20. What's more, its IUPAC name is Methyl 1-methylindazole-6-carboxylate.
Physical properties about 1-Methyl-1H-indazole-6-carboxylic acid methyl ester are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 260; (8)ACD/KOC (pH 7.4): 260; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 52.411 cm3; (15)Molar Volume: 154.068 cm3; (16)Polarizability: 20.777×10-24 cm3; (17)Surface Tension: 43.002 dyne/cm; (18)Density: 1.235 g/cm3; (19)Flash Point: 143.149 °C; (20)Enthalpy of Vaporization: 55.414 kJ/mol; (21)Boiling Point: 313.086 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)c1ccc2cnn(C)c2c1
(2) InChI: InChI=1/C10H10N2O2/c1-12-9-5-7(10(13)14-2)3-4-8(9)6-11-12/h3-6H,1-2H3
(3) InChIKey: RPHJVNKZUSDUDA-UHFFFAOYAU