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CAS No.: | 122433-29-8 |
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Name: | Ethanone, 1-(2-benzoxazolyl)- (9CI) |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H7NO2 |
Molecular Weight: | 161.16 |
Synonyms: | 1-(1, 3-Benzoxazol-2-yl)ethanone; |
Density: | 1.229 g/cm3 |
Boiling Point: | 272.9 °C at 760 mmHg |
Flash Point: | 118.9 °C |
PSA: | 43.10000 |
LogP: | 2.03040 |
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The Ethanone, 1-(2-benzoxazolyl)-, with the CAS registry number of 122433-29-8, is also known as 1-(Benzo[d]oxazol-2-yl)ethanone. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C9H7NO2 and molecular weight is 161.15738. What's more, its systematic name is called 1-(1, 3-Benzoxazol-2-yl)ethanone.
Physical properties about Ethanone, 1-(2-benzoxazolyl)- are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.29; (6)ACD/BCF (pH 7.4): 7.29; (7)ACD/KOC (pH 5.5): 144.3; (8)ACD/KOC (pH 7.4): 144.3; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.1 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 44.51 cm3; (15)Molar Volume: 131 cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Density: 1.229 g/cm3; (18)Flash Point: 118.9 °C; (19)Enthalpy of Vaporization: 51.12 kJ/mol; (20)Boiling Point: 272.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00591 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1nc2ccccc2o1
(2) InChI: InChI=1/C9H7NO2/c1-6(11)9-10-7-4-2-3-5-8(7)12-9/h2-5H,1H3
(3) InChIKey: ZCNHSDWCQINSDF-UHFFFAOYAI