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CAS No.: | 933717-10-3 |
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Name: | 5-Azazindole-3-carboxyaldehyde. |
Molecular Structure: | |
Formula: | C8H6N2O |
Molecular Weight: | 146.05 |
Synonyms: | 5-Azazindole-3-carboxyaldehyde.; |
Density: | 1.369 g/cm3 |
Boiling Point: | 383.175 °C at 760 mmHg |
Flash Point: | 188.64 °C |
PSA: | 45.75000 |
LogP: | 1.37540 |
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The 1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde, with the CAS registry number 933717-10-3, is also known as 5-Azazindole-3-carboxyaldehyde. This chemical's molecular formula is C8H6N2O and molecular weight is 146.05. What's more, its IUPAC name is the same with its product name.
Physical properties about 1H-Pyrrolo[3,2-c]pyridine-3-carboxaldehyde are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.148; (4)ACD/LogD (pH 7.4): 1.265; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.164; (7)ACD/KOC (pH 5.5): 8.2; (8)ACD/KOC (pH 7.4): 107.209; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 43.373 cm3; (15)Molar Volume: 106.761 cm3; (16)Surface Tension: 71.011 dyne/cm; (17)Density: 1.369 g/cm3; (18)Flash Point: 188.64 °C; (19)Enthalpy of Vaporization: 63.168 kJ/mol; (20)Boiling Point: 383.175 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cncc2c1c(c[nH]2)C=O
(2) InChI: InChI=1S/C8H6N2O/c11-5-6-3-10-8-4-9-2-1-7(6)8/h1-5,10H
(3) InChIKey: IAMJYHYPXUQXGI-UHFFFAOYSA-N