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