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4-Hydroxy-5-azaindole

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Name

4-Hydroxy-5-azaindole

EINECS N/A
CAS No. 54415-77-9 Density 1.335 g/cm3
PSA 48.91000 LogP 1.26850
Solubility N/A Melting Point 242-244 °C
Formula C7H6N2O Boiling Point 486.2 °C at 760 mmHg
Molecular Weight 134.137 Flash Point 247.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54415-77-9 (4-Hydroxy-5-azaindole) Hazard Symbols N/A
Synonyms

4-HYDROXY-5-AZAINDOLE;1,5-Dihydro-4H-pyrrolo[3,2-c]pyridin-4-one;1H-Pyrrolo[3,2-c]pyridin-4(5H)-one;4,5-dihydro-4-oxo-1H-pyrrolo[3,2-c]pyridine;4H-Pyrrolo[3,2-c]pyridin-4-one, 1,5-dihydro-

 

4-Hydroxy-5-azaindole Specification

The 4-Hydroxy-5-azaindole is an organic compound with the formula C7H6N2O. The systematic name of this chemical is 1,5-dihydro-4H-pyrrolo[3,2-c]pyridin-4-one. With the CAS registry number 54415-77-9, it is also named as 1H-Pyrrolo[3,2-c]pyridin-4(5H)-one.

Physical properties about 4-Hydroxy-5-azaindole are: (1)ACD/LogP: -0.33; (2)ACD/LogD (pH 5.5): -0.33; (3)ACD/LogD (pH 7.4): -0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.68; (7)ACD/KOC (pH 7.4): 15.68; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 25.24 Å2; (11)Index of Refraction: 1.634; (12)Molar Refractivity: 35.94 cm3; (13)Molar Volume: 100.4 cm3; (14)Polarizability: 14.24×10-24cm3; (15)Surface Tension: 56.1 dyne/cm; (16)Density: 1.335 g/cm3; (17)Flash Point: 247.8 °C; (18)Enthalpy of Vaporization: 75.19 kJ/mol; (19)Boiling Point: 486.2 °C at 760 mmHg; (20)Vapour Pressure: 1.32E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2ccnc2/C=C\N1
(2)InChI: InChI=1/C7H6N2O/c10-7-5-1-3-8-6(5)2-4-9-7/h1-4,8H,(H,9,10)
(3)InChIKey: GTNVJVBRPMQWBQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H6N2O/c10-7-5-1-3-8-6(5)2-4-9-7/h1-4,8H,(H,9,10)
(5)Std. InChIKey: GTNVJVBRPMQWBQ-UHFFFAOYSA-N

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