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1-Acetoxy-1,3-butadiene
| Catalog Number | CCR1515760 |
| CAS | 1515-76-0 |
| Synonyms | 1,3-Butadien-1-ol,acetate |
| IUPAC Name | [(1E)-Buta-1,3-dienyl] acetate |
| Molecular Weight | 112.13 |
| Molecular Formula | C6H8O2 |
| Canonical SMILES | CC(=O)OC=CC=C |
| InChI | InChI=1S/C6H8O2/c1-3-4-5-8-6(2)7/h3-5H,1H2,2H3/b5-4+ |
| InChI Key | NMQQBXHZBNUXGJ-SNAWJCMRSA-N |
| Appearance | Liquid |
| Application | DA Click Reaction |
| Storage | 2-8 °C |
| Complexity | 114 |
| Exact Mass | 112.052429494 |
| Isomeric SMILES | CC(=O)O/C=C/C=C |
| Monoisotopic Mass | 112.052429494 |
| Topological Polar Surface Area | 26.3Ų |
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