Indole-4-carboxylic acid

With the CAS registry number 2124-55-2, the IUPAC name of Indole-4-carboxylic acid is 1H-indole-4-carboxylic acid. The product's categories are Blocks; Carboxes; Indoles Oxindoles; Indole / Indoline / Oxindole; Indole and Indoline; Indoles and Derivatives; Indole; Indoles; Simple Indoles; Building Blocks; Heterocyclic Building Blocks. It is beige powder which should be kept cold.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): -1.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.55; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.725; (13)Molar Refractivity: 45.45 cm³; (14)Molar Volume: 114.4 cm³; (15)Polarizability: 18.02×10^-24 cm³; (16)Surface Tension: 71.6 dyne/cm; (17)Enthalpy of Vaporization: 70.99 kJ/mol; (18)Vapour Pressure: 8.6E-08 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 3; (21)Exact Mass: 161.047678; (22)MonoIsotopic Mass: 161.047678; (23)Topological Polar Surface Area: 53.1; (24)Heavy Atom Count: 12; (25)Complexity: 193.

Uses of Indole-4-carboxylic acid: It can react with N,N'-Dicyclohexyl-O-benzyl-isoharnstoff to get 1H-indole-4-carboxylic acid benzyl ester. This reaction needs solvent dimethylformamide at temperature of 65-70 °C. The reaction time is 3 hours. The yield is 89%. 

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)c1cccc2c1ccn2
2. InChI:InChI=1/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12)
3. InChIKey:ROGHUJUFCRFUSO-UHFFFAOYAP