| CAS Number | 1096790-35-0 |
| Catalog Number | AG01EJOG |
| Chemical Name | 2-(5-methylfuran-2-yl)propanenitrile |
| IUPAC Name | 2-(5-methylfuran-2-yl)propanenitrile |
| InChI | InChI=1S/C8H9NO/c1-6(5-9)8-4-3-7(2)10-8/h3-4,6H,1-2H3 |
| InChI Key | PBBKZTVYEUAFJX-UHFFFAOYSA-N |
| MDL Number | MFCD11641453 |
| Molecular Formula | C8H9NO |
| Molecular Weight | 135.1632 |
| SMILES | CC(C1OC(C)=CC=1)C#N |
| Synonyms | 2-(5-methylfuran-2-yl)propanenitrile,
AKOS009459280,
1096790-35-0,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.166g/mol |
| Monoisotopic Mass | 135.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number