1H-Indole-3-carboxylicacid, 5-hydroxy-2-methyl-, ethyl ester (7598-91-6)

This chemical is called Ethyl 5-hydroxy-2-methylindole-3-carboxylate, and it can also be named as 1H-Indole-3-carboxylic acid, 5-hydroxy-2-methyl-, ethyl ester. With the molecular formula of C₁₂H₁₃NO₃, its molecular weight is 219.24. The CAS registry number of this chemical is 7598-91-6. In addition, its product categories are Indoles and derivatives; Building Blocks; Heterocyclic Building Blocks; Indoles. This chemical is off-white to light tan crystalline powder, and it should be kept in the sealed place which should be cool and dry.

Other characteristics of the Ethyl 5-hydroxy-2-methylindole-3-carboxylate can be summarised as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 36.55; (6)CD/BCF (pH 7.4): 36.12; (7)ACD/KOC (pH 5.5): 457.45; (8)ACD/KOC (pH 7.4): 452; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 61.64 cm³; (15)Molar Volume: 170.9 cm³; (16)Polarizability: 24.43×10^-24cm³; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 199.7 °C; (20)Enthalpy of Vaporization: 68.4 kJ/mol; (21)Boiling Point: 406.7 °C at 760 mmHg; (22)Vapour Pressure: 3.4E-07 mmHg at 25°C.

Uses of this chemical: The 2-methyl-indol-5-ol could be obtained by the reagents of water and NaOH-solution.
 


When you are using this chemical, please be cautious about it as the following: Do not breathe dust and avoid contacting with skin and eyes.
 
You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OCC)c2c1cc(O)ccc1nc2C
(2)InChI: InChI=1/C12H13NO3/c1-3-16-12(15)11-7(2)13-10-5-4-8(14)6-9(10)11/h4-6,13-14H,3H2,1-2H3
(3)InChIKey: BSNHKSUAAMJXBB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H13NO3/c1-3-16-12(15)11-7(2)13-10-5-4-8(14)6-9(10)11/h4-6,13-14H,3H2,1-2H3
(5)Std. InChIKey: BSNHKSUAAMJXBB-UHFFFAOYSA-N