| CAS Number | 1821022-18-7 |
| Catalog Number | AG0023DI |
| Chemical Name | (R)-Benzyl 2-methyl-2-(methylsulfonyl)pent-4-enoate |
| IUPAC Name | benzyl (2R)-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-/m1/s1 |
| InChI Key | IWUXUMPMYUOEIY-CQSZACIVSA-N |
| MDL Number | MFCD30490705 |
| Molecular Formula | C14H18O4S |
| Molecular Weight | 282.3553 |
| SMILES | C[C@](C(=O)OCC1=CC=CC=C1)(CC=C)S(=O)(=O)C |
| Synonyms | (R)-benzyl 2-methyl-2-(methylsulfonyl)pent-4-enoate,
1821022-18-7,
Benzyl (R)-2-methyl-2-(methylsulfonyl)pent-4-enoate,
IWUXUMPMYUOEIY-CQSZACIVSA-N,
MFCD30490705,
ZINC584636457,
CS-W018400,
AS-48490,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number