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2-Propanone,O-[1-(hydroxymethyl)pentyl]oxime

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Name

2-Propanone,O-[1-(hydroxymethyl)pentyl]oxime

EINECS N/A
CAS No. 5001-44-5 Density 0.94 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C9H19NO2 Boiling Point 249.3 °C at 760 mmHg
Molecular Weight 173.255 Flash Point 104.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5001-44-5 (2-[(propan-2-ylideneamino)oxy]hexan-1-ol) Hazard Symbols N/A
Synonyms

Acetone,O-[1-(hydroxymethyl)pentyl]oxime (7CI,8CI);NSC 77858;2-[(Propan-2-ylideneamino)oxy]hexan-1-ol;

 

2-Propanone,O-[1-(hydroxymethyl)pentyl]oxime Specification

The 2-Propanone,O-[1-(hydroxymethyl)pentyl]oxime, with the CAS registry number 5001-44-5, is also known as Acetone,O-[1-(hydroxymethyl)pentyl]oxime (7CI,8CI). This chemical's molecular formula is C9H19NO2 and molecular weight is 173.25. What's more, its systematic name is 2-[(Propan-2-ylideneamino)oxy]hexan-1-ol.

Physical properties of 2-Propanone,O-[1-(hydroxymethyl)pentyl]oxime are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 30.82 Å2; (7)Index of Refraction: 1.444; (8)Molar Refractivity: 48.76 cm3; (9)Molar Volume: 183.2 cm3; (10)Polarizability: 19.33×10-24 cm3; (11)Surface Tension: 28.6 dyne/cm; (12)Density: 0.94 g/cm3; (13)Flash Point: 104.6 °C; (14)Enthalpy of Vaporization: 56.52 kJ/mol; (15)Boiling Point: 249.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00371 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(O\N=C(/C)C)CCCC
(2)InChI: InChI=1S/C9H19NO2/c1-4-5-6-9(7-11)12-10-8(2)3/h9,11H,4-7H2,1-3H3
(3)InChIKey: SVLNPLWAUHBJMV-UHFFFAOYSA-N

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