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3-Ketomorpholine

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Name

3-Ketomorpholine

EINECS 203-647-9
CAS No. 109-11-5 Density 1.122 g/cm3
PSA 38.33000 LogP -0.53840
Solubility N/A Melting Point 104-106℃
Formula C4H7NO2 Boiling Point 313 °C at 760 mmHg
Molecular Weight 101.105 Flash Point 143.1 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes R22; R45; R50/53
Molecular Structure Molecular Structure of 109-11-5 (morpholin-3-one) Hazard Symbols T,Xi
Synonyms

3-Oxomorpholine;NSC 11688;3-Morpholinone;

Article Data 27

3-Ketomorpholine Specification

The IUPAC name of this chemical is Morpholin-3-one. With the CAS registry number 109-11-5 and EINECS registry number 203-647-9, it is also named as 3-ketomorpholine. In addition, the molecular formula is C4H7NO2 and the molecular weight is 101.10. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Morpholin-3-one are: (1)ACD/LogP: -2.23; (2)ACD/LogD (pH 5.5): -2.23; (3)ACD/LogD (pH 7.4): -2.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.46; (7)ACD/KOC (pH 7.4): 1.46; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.435; (12)Molar Refractivity: 23.53 cm3; (13)Molar Volume: 90 cm3; (14)Polarizability: 9.32 ×10-24cm3; (15)Surface Tension: 32.1 dyne/cm; (16)Density: 1.122 g/cm3; (17)Flash Point: 143.1 °C; (18)Enthalpy of Vaporization: 55.4 kJ/mol; (19)Boiling Point: 313 °C at 760 mmHg; (20)Vapour Pressure: 0.000512 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCCOC1
(2)Std. InChI: InChI=1S/C4H7NO2/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)
(3)Std. InChIKey: VSEAAEQOQBMPQF-UHFFFAOYSA-N

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