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308851-67-4

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Basic Information
CAS No.: 308851-67-4
Name: 1-(3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ethanone
Article Data: 2
Molecular Structure:
Molecular Structure of 308851-67-4 (1-(3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ethanone)
Formula: C10H11NO2
Molecular Weight: 177.203
Synonyms: 6-Acetyl-3,4-dihydro-2H-1,4-benzoxazine;
Density: 1.144 g/cm3
Boiling Point: 351.175 °C at 760 mmHg
Flash Point: 166.185 °C
PSA: 38.33000
LogP: 1.83150
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  • Ethanone, 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-

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    Ethanone, 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-

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  • 1-(3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ethanone

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    1-(3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ethanone

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  • 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)Ethanone

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    1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)Ethanone

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Specification

The CAS registry number of Ethanone, 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)- is 308851-67-4. Its molecular formula is C10H11NO2 and molecular weight is 177.1998. Its systematic name is called 6-Acetyl-3,4-dihydro-2H-1,4-benzoxazine.

Physical properties about Ethanone, 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)- are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.144; (4)ACD/LogD (pH 7.4): 1.149; (5)ACD/BCF (pH 5.5): 4.345; (6)ACD/BCF (pH 7.4): 4.394; (7)ACD/KOC (pH 5.5): 99.289; (8)ACD/KOC (pH 7.4): 100.409; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 48.797 cm3; (14)Molar Volume: 154.87 cm3; (15)Surface Tension: 42.775 dyne/cm; (16)Density: 1.144 g/cm3; (17)Flash Point: 166.185 °C; (18)Enthalpy of Vaporization: 59.585 kJ/mol; (19)Boiling Point: 351.175 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1ccc2c(c1)NCCO2
(2)InChI: InChI=1/C10H11NO2/c1-7(12)8-2-3-10-9(6-8)11-4-5-13-10/h2-3,6,11H,4-5H2,1H3
(3)InChIKey: KJYZRXVGOQBIJW-UHFFFAOYAQ