| CAS Number | 1267231-63-9 |
| Catalog Number | AG01C3LF |
| Chemical Name | (1-cyanocyclopentyl)methyl methanesulfonate |
| IUPAC Name | (1-cyanocyclopentyl)methyl methanesulfonate |
| InChI | InChI=1S/C8H13NO3S/c1-13(10,11)12-7-8(6-9)4-2-3-5-8/h2-5,7H2,1H3 |
| InChI Key | BSDWKGPJQOJEEY-UHFFFAOYSA-N |
| MDL Number | MFCD22555479 |
| Molecular Formula | C8H13NO3S |
| Molecular Weight | 203.2587 |
| SMILES | CS(OCC1(C#N)CCCC1)(=O)=O |
| Synonyms | (1-cyanocyclopentyl)methyl methanesulfonate,
1267231-63-9,
ZINC49812637,
AKOS022343760,
FCH1354237,
MCULE-5009616685,
NS-02115,
EN300-256039,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.256g/mol |
| Monoisotopic Mass | 203.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number