| CAS Number | 1258959-97-5 |
| Catalog Number | AG01DST3(AGN-PC-0HCREH) |
| Chemical Name | 4-Methoxy-1-benzofuran-7-carbonitrile |
| IUPAC Name | 4-methoxy-1-benzofuran-7-carbonitrile |
| InChI | InChI=1S/C10H7NO2/c1-12-9-3-2-7(6-11)10-8(9)4-5-13-10/h2-5H,1H3 |
| InChI Key | ZNVQXGZORDEGLK-UHFFFAOYSA-N |
| MDL Number | MFCD23705133 |
| Molecular Formula | C10H7NO2 |
| Molecular Weight | 173.1681 |
| SMILES | COC1=C2C=COC2=C(C=C1)C#N |
| Synonyms | 4-methoxy-1-benzofuran-7-carbonitrile,
1258959-97-5,
4-Methoxy-benzofuran-7-carbonitrile,
SCHEMBL2125034,
ZNVQXGZORDEGLK-UHFFFAOYSA-N,
AKOS034112619,
ZINC118095315,
FT-0720477,
4-methoxy-7-Benzofurancarbonitrile,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.171g/mol |
| Monoisotopic Mass | 173.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number