CAS No.3705-21-3,5-HYDROXYINDOLE-3-CARBOXYLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3705-21-3
Name:	5-HYDROXYINDOLE-3-CARBOXYLIC ACID
Article Data:	3

Formula:	C₉H₇NO₃
Molecular Weight:	177.159
Synonyms:	5-Hydroxyindole-3-carboxylic acid;Indole-3-carboxylic acid, 5-hydroxy-;
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 1H-Indole-3-carboxylicacid, 5-hydroxy-, with the CAS registry number 3705-21-3, is also known as Indole-3-carboxylic acid, 5-hydroxy-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₉H₇NO₃ and molecular weight is 177.16. What's more, its systematic name is 5-hydroxy-1H-indole-3-carboxylic acid.

Physical properties of 1H-Indole-3-carboxylicacid, 5-hydroxy- are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -2.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.87; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 47.34 cm³; (15)Molar Volume: 112.8 cm³; (16)Polarizability: 18.76×10^-24cm³; (17)Surface Tension: 90.3 dyne/cm; (18)Density: 1.57 g/cm³; (19)Flash Point: 263.1 °C; (20)Enthalpy of Vaporization: 82.37 kJ/mol; (21)Boiling Point: 511.4 °C at 760 mmHg; (22)Vapour Pressure: 2.79E-11 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2c1cc(O)ccc1nc2
(2)Std. InChI: InChI=1S/C9H7NO3/c11-5-1-2-8-6(3-5)7(4-10-8)9(12)13/h1-4,10-11H,(H,12,13)
(3)Std. InChIKey: RVWZUOPFHTYIEO-UHFFFAOYSA-N