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| CAS No.: | 2346-26-1 |
|---|---|
| Name: | 2,4-Oxazolidinedione |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C3H3NO3 |
| Molecular Weight: | 101.062 |
| Synonyms: | 1,3-Oxazolidin-2,4-dione;1,3-Oxazolidine-2,4-dione;2,4(3H,5H)-Oxazoledione;Carbamic acid,(hydroxyacetyl)-, g-lactone;Glycoloylcarbamic acid g-lactone;NSC 120350; |
| Density: | 1.469 g/cm3 |
| Melting Point: | 89-90 °C |
| Boiling Point: | 173 °C(Press: 11 Torr) |
| PSA: | 55.40000 |
| LogP: | -0.41840 |
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Specification
This chemical is called 2,4-Oxazolidinedione, and its systematic name is 1,3-oxazolidine-2,4-dione. With the molecular formula of C3H3NO3, its molecular weight is 101.06. The CAS registry number of this chemical is 2346-26-1.
Other characteristics of the 2,4-Oxazolidinedione can be summarised as followings: (1)ACD/LogP: -0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -2.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.97; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 19.04 cm3; (15)Molar Volume: 68.7 cm3; (16)Polarizability: 7.55×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.469 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1NC(=O)OC1
2.InChI: InChI=1/C3H3NO3/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
3.InChIKey: COWNFYYYZFRNOY-UHFFFAOYAP
4.Std. InChI: InChI=1S/C3H3NO3/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
5.Std. InChIKey: COWNFYYYZFRNOY-UHFFFAOYSA-N