| CAS Number | 1289648-06-1 |
| Catalog Number | AG01BGFH(AGN-PC-0WOEMM) |
| Chemical Name | 2-(1-Hydroxycyclobutyl)acetonitrile |
| IUPAC Name | 2-(1-hydroxycyclobutyl)acetonitrile |
| InChI | InChI=1S/C6H9NO/c7-5-4-6(8)2-1-3-6/h8H,1-4H2 |
| InChI Key | WGUOXDXKHXMBIS-UHFFFAOYSA-N |
| MDL Number | MFCD21801335 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | OC1(CCC1)CC#N |
| Synonyms | 2-(1-hydroxycyclobutyl)acetonitrile,
1289648-06-1,
ZINC85879739,
AKOS017668539,
CS-12658,
SY129261,
MFCD21801335 (95%),
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number