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CAS No.: | 58475-97-1 |
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Name: | Ethanone, 1-(2-indolizinyl)- (9CI) |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H9NO |
Molecular Weight: | 159.188 |
Synonyms: | 1-Indolizin-2-ylethanone; |
Density: | 1.1 g/cm3 |
Melting Point: | 118-120 °C (decomp) |
PSA: | 21.48000 |
LogP: | 2.14190 |
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The Ethanone, 1-(2-indolizinyl)-, with the CAS registry number of 58475-97-1, is also known as Ethanone, 1-(2-indolizinyl)- (9CI). It belongs to the product category of Acetylgroup. This chemical's molecular formula is C10H9NO and molecular weight is 159.18456. What's more, its systematic name is called 1-Indolizin-2-ylethanone.
Physical properties about Ethanone, 1-(2-indolizinyl)- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 21.48 Å2; (9)Index of Refraction: 1.585; (10)Molar Refractivity: 48.15 cm3; (11)Molar Volume: 143.6 cm3; (12)Surface Tension: 40.8 dyne/cm; (13)Density: 1.1 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1cc2ccccn2c1
(2) InChI: InChI=1/C10H9NO/c1-8(12)9-6-10-4-2-3-5-11(10)7-9/h2-7H,1H3
(3) InChIKey: YUQPUNMMDJWKAK-UHFFFAOYAV