| CAS Number | 1942858-51-6 |
| Catalog Number | AG00ASIR |
| Chemical Name | (S)-benzyl 2-methyl-2-(methylsulfonyl)pent-4-enoate |
| IUPAC Name | benzyl (2S)-2-methyl-2-methylsulfonylpent-4-enoate |
| InChI | InChI=1S/C14H18O4S/c1-4-10-14(2,19(3,16)17)13(15)18-11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3/t14-/m0/s1 |
| InChI Key | IWUXUMPMYUOEIY-AWEZNQCLSA-N |
| MDL Number | MFCD30490704 |
| Molecular Formula | C14H18O4S |
| Molecular Weight | 282.3553 |
| SMILES | C[C@@](C(=O)OCC1=CC=CC=C1)(CC=C)S(=O)(=O)C |
| Synonyms | 1942858-51-6,
(S)-benzyl 2-methyl-2-(methylsulfonyl)pent-4-enoate,
Benzyl (S)-2-methyl-2-(methylsulfonyl)pent-4-enoate,
MFCD30490704,
AKOS030629800,
ZINC584636456,
CS-W018402,
AS-48489,
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| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.354g/mol |
| Monoisotopic Mass | 282.093g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number