| CAS Number | 68275-03-6 |
| Catalog Number | AG005XFE(AGN-PC-0JD9RK) |
| Chemical Name | 4-PENTYNYL METHANESULFONATE |
| IUPAC Name | pent-4-ynyl methanesulfonate |
| InChI | InChI=1S/C6H10O3S/c1-3-4-5-6-9-10(2,7)8/h1H,4-6H2,2H3 |
| InChI Key | ZKCDAGCMMFDKFX-UHFFFAOYSA-N |
| MDL Number | MFCD16653021 |
| Molecular Formula | C6H10O3S |
| Molecular Weight | 162.2068 |
| SMILES | CS(OCCCC#C)(=O)=O |
| Synonyms | 4-Pentynyl methanesulfonate,
68275-03-6,
pent-4-yn-1-yl methanesulfonate,
4-Pentyn-1-ol 1-methanesulfonate,
pent-4-ynyl methanesulfonate,
pent-4-ynyl methanesulphonate,
SCHEMBL313345,
DTXSID40499717,
ZKCDAGCMMFDKFX-UHFFFAOYSA-N,
Pent-4-in-1-yl methane sulfonate,
4-Pentyn-1-ol, 1-methanesulfonate,
ZINC26422625,
AKOS005208158,
Methanesulfonic acid pent-4-ynyl ester,
L-2492,
F2147-0171,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.203g/mol |
| Monoisotopic Mass | 162.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number