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CAS No.: | 83393-46-8 |
---|---|
Name: | Ethanone, 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- (9CI) |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C9H8N2O |
Molecular Weight: | 160.175 |
Synonyms: | 1H-Pyrrolo[2,3-b]pyridine,ethanone deriv.;1-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethanone;3-Acetyl-7(1H)-azaindole; |
Density: | 1.265 g/cm3 |
Melting Point: | 202-206°C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38-43 |
Safety: | 26-36/37 |
PSA: | 45.75000 |
LogP: | 1.76550 |
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The CAS register number of 3-Acetyl-7(1H)-azaindole is 83393-46-8. It also can be called as 3-Acetyl-1H-pyrrolo[2,3-b]pyridine and the systematic name about this chemical is 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone. It belongs to the Acetylgroup.
Physical properties about 3-Acetyl-7(1H)-azaindole are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 12; (5)ACD/BCF (pH 7.4): 12; (6)ACD/KOC (pH 5.5): 206; (7)ACD/KOC (pH 7.4): 207; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.75Å2; (12)Index of Refraction: 1.658; (13)Molar Refractivity: 46.648 cm3; (14)Molar Volume: 126.626 cm3; (15)Polarizability: 18.493x10-24cm3; (16)Surface Tension: 58.397 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c2cnc1ncccc12
(2)InChI: InChI=1/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11)
(3)InChIKey: OGMZQWPOZWMDQS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11)
(5)Std. InChIKey: OGMZQWPOZWMDQS-UHFFFAOYSA-N