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| IUPAC Name: | diethyl 2-prop-2-enylpropanedioate |
| Description: | Diethyl Allylmalonate (CAS# 2049-80-1) is an important intermediate in the synthesis of vitamins B1 and B6, barbiturates, non-steroidal anti-inflammatory agents, other pharmaceuticals, agrochemicals and flavor/fragrance compounds. |
| Molecular Weight: | 200.23 |
| Molecular Formula: | C10H16O4 |
| Canonical SMILES: | CCOC(=O)C(CC=C)C(=O)OCC |
| InChI: | InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3 |
| InChI Key: | GDWAYKGILJJNBB-UHFFFAOYSA-N |
| Boiling Point: | 222-223 °C (lit.) |
| Flash Point: | 159.8 °CF - closed cup |
| Purity: | 95 % |
| Density: | 1.015 g/mL at 25 °C (lit.) |
| MDL: | MFCD00009155 |
| LogP: | 1.30490 |
| Refractive Index: | n20/D 1.431 (lit.) |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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