| CAS Number | 1503481-35-3 |
| Catalog Number | AG01B9MW |
| Chemical Name | 3-(propan-2-yl)furan-2-carbonitrile |
| IUPAC Name | 3-propan-2-ylfuran-2-carbonitrile |
| InChI | InChI=1S/C8H9NO/c1-6(2)7-3-4-10-8(7)5-9/h3-4,6H,1-2H3 |
| InChI Key | WUKXKKAMULAUDM-UHFFFAOYSA-N |
| MDL Number | MFCD28954040 |
| Molecular Formula | C8H9NO |
| Molecular Weight | 135.1632 |
| SMILES | CC(C1=C(C#N)OC=C1)C |
| Synonyms | 3-(propan-2-yl)furan-2-carbonitrile,
1503481-35-3,
ZINC83267484,
AKOS022965900,
Z2199618295,
|
| Complexity | 156 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number