| CAS Number | 92747-27-8 |
| Catalog Number | AG01ABKH(AGN-PC-00LSPY) |
| Chemical Name | 1-Methoxycyclopentane-1-carbonitrile |
| IUPAC Name | 1-methoxycyclopentane-1-carbonitrile |
| InChI | InChI=1S/C7H11NO/c1-9-7(6-8)4-2-3-5-7/h2-5H2,1H3 |
| InChI Key | AIQQWPIHPKNKDO-UHFFFAOYSA-N |
| MDL Number | MFCD21684296 |
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.1683 |
| SMILES | N#CC1(OC)CCCC1 |
| Synonyms | 1-methoxycyclopentane-1-carbonitrile,
92747-27-8,
ZINC85090807,
AKOS015412977,
MCULE-6265915902,
NE62709,
Z1675167306,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.171g/mol |
| Monoisotopic Mass | 125.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number