3-Butynyl Methanesulfonate - CAS 72486-09-0
Catalog: |
BB071108 |
Product Name: |
3-Butynyl Methanesulfonate |
CAS: |
72486-09-0 |
Synonyms: |
but-3-yn-1-yl methanesulfonate; but-3-ynyl methanesulfonate; But-3-ynyl methanesulphonate; 1-butyn-4-yl methanesulfonate; but-3-yn-1-ylmethanesulfonate; 3-Butyn-1-ol 1-methanesulfonate |
IUPAC Name: | but-3-ynyl methanesulfonate |
Molecular Weight: | 148.18 |
Molecular Formula: | C5H8O3S |
Canonical SMILES: | CS(=O)(=O)OCCC#C |
InChI: | InChI=1S/C5H8O3S/c1-3-4-5-8-9(2,6)7/h1H,4-5H2,2H3 |
InChI Key: | APJYYFNGGGLDJF-UHFFFAOYSA-N |
GHS Hazard Statement: | H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.01941529 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.01941529 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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