3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one
3-but-2-ynylisochromen-1-one
Also Known As: Capillarin|3-but-2-ynylisochromen-1-one|3-(but-2-ynyl) isocoumarin|3-(2-Butynyl)-1H-2-benzopyran-1-one|1H-2-Benzopyran-1-one, 3-(2-butynyl)-|MEGxp0_001548|3-but-2-ynyl-isochromen-1-one|ACon1_002077|KUJLPCYCQICVRM-UHFFFAOYSA-|3-(but-2-yn-1-yl)-1H-isochromen-1-one|NCGC00179854-01|3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one|3-(But-2-yn-1-yl)-1H-2-benzopyran-1-one|BRD-K94645508-001-01-9
CAS: 3570-28-3
| Molecular Formula | C13H10O2 |
|---|---|
| Molecular Weight | 198.06808 g/mol |
| LogP | 2.3588 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.06808 |
| Monoisotopic Mass | 198.06808 |
| Heavy Atoms | 15 |
| Complexity | 596.94257 |
Chemical Identifiers
| CAS Number | 3570-28-3 |
|---|---|
| SMILES | CC#CCC1=CC2=CC=CC=C2C(=O)O1 |
Product Overview
3-(2-Butyn-1-yl)-1H-2-benzopyran-1-one (CAS 3570-28-3), with molecular formula C13H10O2 and molecular weight 198.06808 g/mol. IUPAC: 3-but-2-ynylisochromen-1-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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