| CAS Number | 1029612-18-7 |
| Catalog Number | AG00IMIZ(AGN-PC-0WBO16) |
| Chemical Name | (Z)-3-(P-Toluenesulfonyloxy)but-2-enoic acid methyl ester |
| IUPAC Name | methyl (Z)-3-(4-methylphenyl)sulfonyloxybut-2-enoate |
| InChI | InChI=1S/C12H14O5S/c1-9-4-6-11(7-5-9)18(14,15)17-10(2)8-12(13)16-3/h4-8H,1-3H3/b10-8- |
| InChI Key | QBENOPMVGLDWSB-NTMALXAHSA-N |
| MDL Number | MFCD30749294 |
| Molecular Formula | C12H14O5S |
| Molecular Weight | 270.3016 |
| SMILES | C/C(OS(=O)(C1=CC=C(C)C=C1)=O)=C/C(OC)=O |
| Synonyms | Methyl (Z)-3-(p-Toluenesulfonyloxy)but-2-enoate,
(Z)-3-(p-Toluenesulfonyloxy)but-2-enoic Acid Methyl Ester,
1029612-18-7,
Methyl (Z)-3-(Tosyloxy)but-2-enoate,
M3043,
|
| Complexity | 410 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 270.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.299g/mol |
| Monoisotopic Mass | 270.056g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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