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5-Azaindole-2-carboxylic acid

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Name

5-Azaindole-2-carboxylic acid

EINECS 1.506 g/cm3
CAS No. 800401-65-4 Density 1.507g/cm3
PSA 65.98000 LogP 1.26110
Solubility N/A Melting Point N/A
Formula C8H6N2O2 Boiling Point 446.8 °C at 760 mmHg
Molecular Weight 162.148 Flash Point 224 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 800401-65-4 (5-AZAINDOLE-2-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID;5-AZAINDOLE-2-CARBOXYLIC ACID;5-Azaindole-5-carboxylic acid;1H-pyrrolo[3,2-c]pyridine-2-carbo×ylic acid

Article Data 8

5-Azaindole-2-carboxylic acid Specification

The CAS registry number of 5-Azaindole-2-carboxylic acid is 800401-65-4. In addition, the molecular formula is C8H6N2O2 and the molecular weight is 162.04. It is also called 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 5-Azaindole-2-carboxylic acid are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.743; (12)Molar Refractivity: 43.54 cm3; (13)Molar Volume: 107.6 cm3; (14)Polarizability: 17.26 ×10-24cm3; (15)Surface Tension: 85.2 dyne/cm; (16)Density: 1.506 g/cm3; (17)Flash Point: 224 °C; (18)Enthalpy of Vaporization: 74.3 kJ/mol; (19)Boiling Point: 446.8 °C at 760 mmHg; (20)Vapour Pressure: 9.1E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2ncccc2n1
(2)Std. InChI: InChI=1S/C8H6N2O2/c11-8(12)7-4-6-5(10-7)2-1-3-9-6/h1-4,10H,(H,11,12)
(3)Std. InChIKey: KBHQUFPZXCNYKN-UHFFFAOYSA-N

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