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| CAS No.: | 67058-74-6 |
|---|---|
| Name: | 6-AZAINDOLE-3-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C8H6N2O2 |
| Molecular Weight: | 162.1454 |
| Synonyms: | Pyrrolo[2,3-c]pyridine-2-carboxylic acid; |
| Density: | 1.507 g/cm3 |
| Melting Point: | 194-195℃ |
| Boiling Point: | 471.131 °C at 760 mmHg |
| Flash Point: | 238.731 °C |
| PSA: | 65.98000 |
| LogP: | 1.26110 |
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- Total:38 Page 1 of 1 1
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Specification
This chemical's CAS registry number is 67058-74-6 and it also known as Pyrrolo[2,3-c]pyridine-2-carboxylic acid. This chemical's 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[2,3-c]pyridine-2-carboxylic acid.
Physical properties about 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid are: (1)ACD/LogP: 1.52; (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: 65.98Å2; (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: 238.731 °C; (18)Enthalpy of Vaporization: 77.308 kJ/mol; (19)Boiling Point: 471.131 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cncc2c1cc([nH]2)C(=O)O
(2) InChI: InChI=1/C8H6N2O2/c11-8(12)6-3-5-1-2-9-4-7(5)10-6/h1-4,10H,(H,11,12)
(3) InChIKey: PWWYFIZEQHFRJH-UHFFFAOYAV