5-Hydroxyindole-2-carboxylic acid

The IUPAC name of this chemical is 5-hydroxy-1H-indole-2-carboxylic acid. With the CAS registry number 21598-06-1, it is also named as 1H-Indole-2-carboxylic acid, 5-hydroxy-. The product's categories are Indoles and Derivatives; Indole; Organic Acids; Heterocyclic Compounds; Indoles; Building Blocks; Heterocyclic Building Blocks. It is light yellow to beige crystalline powder which should be stored at the temperature of 4 °C.

The other characteristics of 5-Hydroxyindole-2-carboxylic acid can be summarized as: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -1.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.53; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.78; (13)Molar Refractivity: 47.34 cm³; (14)Molar Volume: 112.8 cm³; (15)Polarizability: 18.76×10^-24 cm³; (16)Surface Tension: 90.3 dyne/cm; (17)Enthalpy of Vaporization: 82.37 kJ/mol; (18)Vapour Pressure: 2.79E-11 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 15; (21)Exact Mass: 177.042593; (22)MonoIsotopic Mass: 177.042593; (23)Topological Polar Surface Area: 73.3; (24)Heavy Atom Count: 13; (25)Complexity: 219.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful in contact with skin and if swallowed, but also 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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c2cc1cc(O)ccc1n2
2. InChI:InChI=1/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13) 
3. InChIKey:BIMHWDJKNOMNLD-UHFFFAOYAB