| CAS Number | 1491876-71-1 |
| Catalog Number | AG01B55V |
| Chemical Name | 2-[1-(methanesulfonylmethyl)cyclopropyl]acetonitrile |
| IUPAC Name | 2-[1-(methylsulfonylmethyl)cyclopropyl]acetonitrile |
| InChI | InChI=1S/C7H11NO2S/c1-11(9,10)6-7(2-3-7)4-5-8/h2-4,6H2,1H3 |
| InChI Key | WHYKFSRIEHGTLC-UHFFFAOYSA-N |
| MDL Number | MFCD21247102 |
| Molecular Formula | C7H11NO2S |
| Molecular Weight | 173.2327 |
| SMILES | CS(CC1(CC1)CC#N)(=O)=O |
| Synonyms | 2-[1-(methanesulfonylmethyl)cyclopropyl]acetonitrile,
1491876-71-1,
ZINC83862553,
AKOS014831362,
Z2512942915,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.23g/mol |
| Monoisotopic Mass | 173.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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