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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 | 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 |
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