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| CAS No.: | 35233-69-3 |
|---|---|
| Name: | METHYL METHACRYLATE-D8 |
| Molecular Structure: | |
|
|
|
| Formula: | C5D8O2 |
| Molecular Weight: | 108.054 |
| Synonyms: | Methylmethacrylate-d8;Perdeuterated methyl methacrylate; |
| EINECS: | 252-449-9 |
| Density: | 1.011 g/mL at 25 °C |
| Melting Point: | -48 °C(lit.) |
| Boiling Point: | 100 °C(lit.) |
| Flash Point: | 50 °F |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-37/38-43 |
| Safety: | 24-37-46 |
| Transport Information: | UN 1247 |
| PSA: | 26.30000 |
| LogP: | 0.73550 |
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Specification
This chemical is called 2-Propenoic-3,3-d2acid, 2-(methyl-d3)-, methyl-d3 ester, and its CAS registry number is 35233-69-3. With the molecular formula of C5D8O2, its molecular weight is 100.12. Additionally, it should be stored at 0-6°C.
Other characteristics of the 2-Propenoic-3,3-d2acid, 2-(methyl-d3)-, methyl-d3 ester can be summarised as followings: (1)XLogP3: 1.4; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 2; (5)Exact Mass: 108.102643; (6)MonoIsotopic Mass: 108.102643; (7)Topological Polar Surface Area:26.3; (8)Heavy Atom Count: 7; (9)Formal Charge: 0; (10)Complexity: 94.3; (11)Isotope Atom Count: 8; (12)Covalently-Bonded Unit Count: 1; (13)Feature 3D Acceptor Count: 1; (14)Effective Rotor Count: 2; (15)Conformer Sampling RMSD: 0.4; (16)CID Conformer Count: 5.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3,3D3
2.Smiles:C([2H])(=C(C([2H])([2H])[2H])C(=O)OC([2H])([2H])[2H])[2H]