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80129-52-8

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Basic Information
CAS No.: 80129-52-8
Name: 4-Hydroxy-1H-indole-2-carboxylic acid
Molecular Structure:
Molecular Structure of 80129-52-8 (4-Hydroxy-1H-indole-2-carboxylic acid)
Formula: C9H7NO3
Molecular Weight: 177.159
Synonyms: 4-hydroxy-1H-indole-2-carboxylic acid;
Density: 1.57 g/cm3
Boiling Point: 511.4 °C at 760 mmHg
Flash Point: 263.1 °C
PSA: 73.32000
LogP: 1.57170
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Specification

The CAS registry number of 1H-Indole-2-carboxylic acid, 4-hydroxy- is 80129-52-8. This chemical's molecular formula is C9H7NO3 and molecular weight is 177.158. Its systematic name is called 4-hydroxy-1H-indole-2-carboxylic acid.

Physical properties of 1H-Indole-2-carboxylic acid, 4-hydroxy-: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 0.49; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 14.27; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.78; (11)Molar Refractivity: 47.34 cm3; (12)Molar Volume: 112.8 cm3; (13)Surface Tension: 90.3 dyne/cm; (14)Density: 1.57 g/cm3; (15)Flash Point: 263.1 °C; (16)Enthalpy of Vaporization: 82.37 kJ/mol; (17)Boiling Point: 511.4 °C at 760 mmHg; (18)Vapour Pressure: 2.79E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cc1c(cccc1O)n2
(2)InChI: InChI=1/C9H7NO3/c11-8-3-1-2-6-5(8)4-7(10-6)9(12)13/h1-4,10-11H,(H,12,13)
(3)InChIKey: IVVRSMJJVHKMFO-UHFFFAOYAN