1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid supplier

Name
1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXYLICACID
EINECS
CAS No. 112766-32-2
Density 1.507 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₂
Boiling Point 446.822 °C at 760 mmHg
Molecular Weight 162.148
Flash Point 224.03 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXYLICACID
PSA 65.98000
LogP 1.26110

1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid Specification

This chemical's CAS registry number is 112766-32-2. Its molecular formula is C₈H₆N₂O₂ and molecular weight is 162.1454. What's more, both the product name and systematic name are the same which is called 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid are: (1)ACD/LogP: 0.64; (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: 43.55 cm³; (13)Molar Volume: 107.625 cm³; (14)Polarizability: 17.265×10^-24 cm³; (15)Surface Tension: 85.206 dyne/cm; (16)Density: 1.507 g/cm³; (17)Flash Point: 224.03 °C; (18)Enthalpy of Vaporization: 74.303 kJ/mol; (19)Boiling Point: 446.822 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc2nccc2nc1
(2) InChI: InChI=1/C8H6N2O2/c11-8(12)5-3-7-6(10-4-5)1-2-9-7/h1-4,9H,(H,11,12)
(3) InChIKey: QLGJLBPWOCDQQM-UHFFFAOYAF

Product Name

1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXYLICACID

1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid Specification

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