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The 6-Methyl-1H-indole-2-carboxylic acid, with the CAS registry number 18474-59-4, is also known as 6-Methylindole-2-carboxylic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C10H9NO2 and molecular weight is 175.18396. Its IUPAC name is called 6-methyl-1H-indole-2-carboxylic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 6-Methyl-1H-indole-2-carboxylic acid: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 1.63; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 5.43; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 55.46; (7)ACD/KOC (pH 7.4): 1.29; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 50.28 cm3; (13)Molar Volume: 130.6 cm3; (14)Surface Tension: 64.6 dyne/cm; (15)Density: 1.34 g/cm3; (16)Flash Point: 202.7 °C; (17)Enthalpy of Vaporization: 70.01 kJ/mol; (18)Boiling Point: 411.5 °C at 760 mmHg; (19)Vapour Pressure: 1.65E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1)C=C(N2)C(=O)O
(2)InChI: InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(10(12)13)11-8(7)4-6/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: ZKGSVVHFMZASJS-UHFFFAOYSA-N