| CAS Number | 133674-71-2 |
| Catalog Number | AG0080BK(AGN-PC-03E0E2) |
| Chemical Name | 5-Acetylfuran-2-carbonitrile |
| IUPAC Name | 5-acetylfuran-2-carbonitrile |
| InChI | InChI=1S/C7H5NO2/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3 |
| InChI Key | QLVSENJSZBDVEW-UHFFFAOYSA-N |
| MDL Number | MFCD18813959 |
| Molecular Formula | C7H5NO2 |
| Molecular Weight | 135.1201 |
| SMILES | CC(C1OC(C#N)=CC=1)=O |
| Synonyms | 5-Acetylfuran-2-carbonitrile,
133674-71-2,
2-Furancarbonitrile, 5-acetyl-,
SCHEMBL9373067,
CTK8C2741,
DTXSID00616589,
6108AA,
ANW-68939,
ZINC39068705,
AJ-97907,
TC-157684,
C7H5NO2,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.122g/mol |
| Monoisotopic Mass | 135.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number