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CAS No.: | 4042-43-7 |
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Name: | (4R)-4-Methyl-2-oxazolidinone |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C4H7NO2 |
Molecular Weight: | 101.105 |
Synonyms: | (4R)-4-methyl-1,3-oxazolidin-2-one;R-4-methyl-Oxazolidin-2-one;2-oxazolidinone, 4-methyl-, (4R)-; |
Density: | 1.095 g/cm3 |
Melting Point: | 45.9 °C |
Boiling Point: | 302.6 °C at 760 mmHg |
Flash Point: | 136.8 °C |
PSA: | 38.33000 |
LogP: | 0.44350 |
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This chemical is called (4R)-4-Methyl-2-oxazolidinone, and it can also be named as 2-oxazolidinone, 4-methyl-, (4R)-. With the molecular formula of C4H7NO2, its molecular weight is 101.10388. The CAS registry number of this chemical is 4042-43-7, and its systematic name is (4R)-4-methyl-1,3-oxazolidin-2-one.
Other characteristics of the (4R)-4-Methyl-2-oxazolidinone can be summarised as follows: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.26; (8)ACD/KOC (pH 7.4): 29.26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 23.62 cm3; (15)Molar Volume: 92.2 cm3; (16)Polarizability: 9.36×10-24 cm3; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 1.095 g/cm3; (19)Flash Point: 136.8 °C; (20)Enthalpy of Vaporization: 54.28 kJ/mol; (21)Boiling Point: 302.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000981 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1OC[C@H](N1)C
2.InChI: InChI=1/C4H7NO2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)/t3-/m1/s1
3.InChIKey: VAJFEOKPKHIPEN-GSVOUGTGBR