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| CAS No.: | 446292-04-2 |
|---|---|
| Name: | 4-(4-nitrophenyl)morpholin-3-one |
| Article Data: | 34 |
| Molecular Structure: | |
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| Formula: | C10H10N2O4 |
| Molecular Weight: | 222.2 |
| Synonyms: | 4-(4-NITROPHENYL)MORPHOLIN-3-ONE |
| EINECS: | 610-199-1 |
| Density: | 1.379 g/cm3 |
| Boiling Point: | 516.802 °C at 760 mmHg |
| Flash Point: | 266.352 °C |
| Safety: | 24/25 |
| PSA: | 75.36000 |
| LogP: | 1.54620 |
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Specification
The 4-(4-Nitrophenyl)morpholin-3-one, with CAS registry number of 446292-04-2, is also known as 3-Morpholinone, 4-(4-nitrophenyl)-; 4-(4-Nitrophenyl)-3-Morpholinone; 4-(3-Oxo-4-morpholinyl)nitrobenzene; 4-(4-Nitrophenyl)-3-oxomorpholine. The IUPAC name is 4-(4-Nitrophenyl)morpholin-3-one. In addition, the formula is C10H10N2O4 and the molecular weight is 222.20.
Physical properties about 4-(4-Nitrophenyl)morpholin-3-one are: (1)ACD/LogP: 0.882; (2)ACD/LogD (pH 5.5): 0.88; (3)ACD/LogD (pH 7.4): 0.88; (4)ACD/BCF (pH 5.5): 2.76; (5)ACD/BCF (pH 7.4): 2.76; (6)ACD/KOC (pH 5.5): 71.92; (7)ACD/KOC (pH 7.4): 71.92; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.595; (11)Molar Refractivity: 54.739 cm3; (12)Molar Volume: 161.084 cm3; (13)Polarizability: 21.7 10-24cm3; (14)Surface Tension: 57.3530006408691 dyne/cm; (15)Density: 1.379 g/cm3; (16)Flash Point: 266.352 °C; (17)Enthalpy of Vaporization: 78.897 kJ/mol; (18)Boiling Point: 516.802 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2ccc(N1C(=O)COCC1)cc2
(2) InChI: InChI=1/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
(3) InChIKey: OWMGEFWSGOTGAU-UHFFFAOYAD