| CAS Number | 13295-53-9 |
| Catalog Number | AG0011FH(AGN-PC-0JD0RQ) |
| Chemical Name | cyclobutylmethyl 4-methylbenzenesulfonate |
| IUPAC Name | cyclobutylmethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C12H16O3S/c1-10-5-7-12(8-6-10)16(13,14)15-9-11-3-2-4-11/h5-8,11H,2-4,9H2,1H3 |
| InChI Key | RNIHFEJHABJCID-UHFFFAOYSA-N |
| MDL Number | MFCD16620922 |
| Molecular Formula | C12H16O3S |
| Molecular Weight | 240.3186 |
| SMILES | CC1=CC=C(S(OCC2CCC2)(=O)=O)C=C1 |
| Synonyms | cyclobutylmethyl 4-methylbenzenesulfonate,
13295-53-9,
cyclobutanemethanol tosylate,
SCHEMBL283868,
RNIHFEJHABJCID-UHFFFAOYSA-N,
MFCD16620922,
ZINC39411184,
AKOS027252522,
(cyclobutyl)methyl para-toluenesulfonate,
AS-44808,
(p-Toluenesulfonyloxy) (cyclobutyl) methane,
toluene-4-sulfonic acid cyclobutylmethyl ester,
191664-00-3,
Cyclobutanemethanol, 1-(4-methylbenzenesulfonate),
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.317g/mol |
| Monoisotopic Mass | 240.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number