1H-Indole-2-carboxylicacid, 4-methyl- (18474-57-2)

The 4-Methyl-1H-indole-2-carboxylic acid is an organic compound with the formula . The systematic name of this chemical is 4-methyl-1H-indole-2-carboxylic acid. With the CAS registry number 18474-57-2, it is also named as 1H-indole-2-carboxylic acid, 4-methyl-. The product's categories are Indole/indoline/oxindole; Indole and Indoline; pharmacetical; Indole.

Physical properties about 4-Methyl-1H-indole-2-carboxylic acid are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 1.64; (3)ACD/BCF (pH 5.5): 5.58; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 56.91; (6)ACD/KOC (pH 7.4): 1.31; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 31.23 Å²; (11)Index of Refraction: 1.696; (12)Molar Refractivity: 50.28 cm³; (13)Molar Volume: 130.6 cm³; (14)Polarizability: 19.93×10^-24cm³; (15)Surface Tension: 64.6 dyne/cm; (16)Density: 1.34 g/cm³; (17)Flash Point: 207.8 °C; (18)Enthalpy of Vaporization: 71.02 kJ/mol; (19)Boiling Point: 419.9 °C at 760 mmHg; (20)Vapour Pressure: 8.41E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc1c(cccc1n2)C
(2)InChI: InChI=1/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
(3)InChIKey: QMSCXKCJGFIXDF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
(5)Std. InChIKey: QMSCXKCJGFIXDF-UHFFFAOYSA-N