| CAS Number | 75434-63-8 |
| Catalog Number | AG008Q3J(AGN-PC-0JE06D) |
| Chemical Name | Tetrahydro-2H-pyran-2-ylmethyl 4-methylbenzenesulfonate |
| IUPAC Name | oxan-2-ylmethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C13H18O4S/c1-11-5-7-13(8-6-11)18(14,15)17-10-12-4-2-3-9-16-12/h5-8,12H,2-4,9-10H2,1H3 |
| InChI Key | YNBDZQRMEDQOQM-UHFFFAOYSA-N |
| MDL Number | MFCD16618477 |
| Molecular Formula | C13H18O4S |
| Molecular Weight | 270.3446 |
| SMILES | CC1=CC=C(S(OCC2OCCCC2)(=O)=O)C=C1 |
| Synonyms | 75434-63-8,
(Tetrahydro-2H-pyran-2-yl)methyl 4-methylbenzenesulfonate,
tetrahydro-2H-pyran-2-ylmethyl 4-methylbenzenesulfonate,
SCHEMBL284269,
YNBDZQRMEDQOQM-UHFFFAOYSA-N,
ALBB-014332,
9245AE,
MFCD16618477,
AKOS005174320,
oxan-2-ylmethyl 4-methylbenzenesulfonate,
oxan-2-ylmethyl 4-methylbenzene-1-sulfonate,
T4052,
EN300-73964,
Toluene-4-sulfonic acid tetrahydro-pyran-2-ylmethyl ester,
C13H18O4S,
2H-Pyran-2-methanol, tetrahydro-, 4-methylbenzenesulfonate,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.343g/mol |
| Monoisotopic Mass | 270.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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