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CAS No.: | 24370-78-3 |
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Name: | 1H-INDOLE-3-CARBOXYLIC ACID,6-HYDROXY |
Molecular Structure: | |
Formula: | C9H7NO3 |
Molecular Weight: | 177.16 |
Synonyms: | 1H-INDOLE-3-CARBOXYLIC ACID,6-HYDROXY |
Density: | 1.57 g/cm3 |
Boiling Point: | 511.361 °C at 760 mmHg |
Flash Point: | 263.062 °C |
PSA: | 73.32000 |
LogP: | 1.57170 |
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6-Hydroxy-1H-indole-3-carboxylic acid, with the CAS registry number 24370-78-3, is also named as 1H-Indole-3-carboxylic acid, 6-hydroxy-. This chemical's molecular formula is C9H7NO3 and molecular weight is 177.16. What's more, its systematic name is 6-Hydroxy-1H-indole-3-carboxylic acid.
Physical properties of 6-Hydroxy-1H-indole-3-carboxylic acid are: (1)ACD/LogP: 1.252; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -1.60; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 6.21; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 73.32 Å2; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 47.34 cm3; (15)Molar Volume: 112.831 cm3; (16)Polarizability: 18.767×10-24cm3; (17)Surface Tension: 90.3 dyne/cm; (18)Density: 1.57 g/cm3; (19)Flash Point: 263.062 °C; (20)Enthalpy of Vaporization: 82.371 kJ/mol; (21)Boiling Point: 511.361 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cnc1cc(O)ccc12
(2)Std. InChI: InChI=1S/C9H7NO3/c11-5-1-2-6-7(9(12)13)4-10-8(6)3-5/h1-4,10-11H,(H,12,13)
(3)Std. InChIKey: NYORHELBFKLYBG-UHFFFAOYSA-N