5-Azaindole-2-carboxylic acid supplier

Name
5-AZAINDOLE-2-CARBOXYLIC ACID
EINECS 1.506 g/cm³
CAS No. 800401-65-4
Article Data8
CAS DataBase
Density 1.507g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₂
Boiling Point 446.8 °C at 760 mmHg
Molecular Weight 162.148
Flash Point 224 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 65.98000
LogP 1.26110

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

Product Name

5-AZAINDOLE-2-CARBOXYLIC ACID

5-Azaindole-2-carboxylic acid Specification

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