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54953-79-6

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Basic Information
CAS No.: 54953-79-6
Name: 5,5-DIMETHYL-[1,3]OXAZINAN-2-ONE
Article Data: 3
Molecular Structure:
Molecular Structure of 54953-79-6 (5,5-DIMETHYL-[1,3]OXAZINAN-2-ONE)
Formula: C6H11NO2
Molecular Weight: 129.15704
Synonyms: 2H-1,3-Oxazin-2-one, tetrahydro-5,5-dimethyl-;
Density: 1.005 g/cm3
Melting Point: 112-113 °C(Solv: acetone (67-64-1))
Boiling Point: 283.2 °C at 760 mmHg
Flash Point: 125.1 °C
PSA: 41.82000
LogP: 0.39240
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Specification

This chemical has the systematic name 5,5-Dimethyl-1,3-oxazinan-2-one, and it's also named as 2H-1,3-oxazin-2-one, tetrahydro-5,5-dimethyl-. With the molecular formula of C6H11NO2, its molecular weight is 129.15704. The CAS registry number of this chemical is 54953-79-6.

Other characteristics of the can be summarised as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09 ; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 38.33 Å2; (9)Index of Refraction: 1.425; (10)Molar Refractivity: 32.85 cm3; (11)Molar Volume: 128.4 cm3; (12)Polarizability: 13.02×10-24cm3; (13)Surface Tension: 26.2 dyne/cm; (14)Density: 1.005 g/cm3; (15)Flash Point: 125.1 °C; (16)Enthalpy of Vaporization: 52.21 kJ/mol; (17)Boiling Point: 283.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00321 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC1(CNC(=O)OC1)C
2.InChI: InChI=1/C6H11NO2/c1-6(2)3-7-5(8)9-4-6/h3-4H2,1-2H3,(H,7,8)
3.InChIKey: PXCUHVYMIAPQGI-UHFFFAOYAG