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CAS No.: | 1071428-43-7 |
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Name: | Methyl 2-methylindazole-4-carboxylate |
Molecular Structure: | |
Formula: | C10H10N2O2 |
Molecular Weight: | 190.2 |
Synonyms: | 4-Methoxycarbonyl-2-methylindazole;2-Methyl-2H-indazole-4-carboxylic acid methyl ester;Methyl 2-methylindazole-4-carboxylate; |
Density: | 1.23 g/cm3 |
Boiling Point: | 338.9 °C at 760 mmHg |
Flash Point: | 158.8 °C |
PSA: | 44.12000 |
LogP: | 1.35990 |
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The 2H-Indazole-4-carboxylic acid, 2-methyl-, methyl ester, with the CAS registry number 1071428-43-7, is also known as 2-Methyl-2H-indazole-4-carboxylic acid methyl ester. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.2. What's more, its systematic name is methyl 2-methylindazole-4-carboxylate.
Physical properties of 2H-Indazole-4-carboxylic acid, 2-methyl-, methyl ester are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 44.12 Å2; (9)Index of Refraction: 1.595; (10)Molar Refractivity: 52.41 cm3; (11)Molar Volume: 154 cm3; (12)Polarizability: 20.77×10-24cm3; (13)Surface Tension: 43 dyne/cm; (14)Density: 1.23 g/cm3; (15)Flash Point: 158.8 °C; (16)Enthalpy of Vaporization: 58.23 kJ/mol; (17)Boiling Point: 338.9 °C at 760 mmHg; (18)Vapour Pressure: 9.5E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C=C2C(=N1)C=CC=C2C(=O)OC
(2)InChI: InChI=1S/C10H10N2O2/c1-12-6-8-7(10(13)14-2)4-3-5-9(8)11-12/h3-6H,1-2H3
(3)InChIKey: VLEQLNMKTVTAAL-UHFFFAOYSA-N