| CAS Number | 21962-48-1 |
| Catalog Number | AG01E3SW |
| Chemical Name | 3-Formyl-2-methoxybenzonitrile |
| IUPAC Name | 3-formyl-2-methoxybenzonitrile |
| InChI | InChI=1S/C9H7NO2/c1-12-9-7(5-10)3-2-4-8(9)6-11/h2-4,6H,1H3 |
| InChI Key | ZTLGJHMOOMMZDE-UHFFFAOYSA-N |
| MDL Number | MFCD18394184 |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.1574 |
| SMILES | COc1c(cccc1C#N)C=O |
| Synonyms | 21962-48-1,
3-Cyano-2-methoxybenzaldehyde,
SCHEMBL286346,
3-Formyl-2-methoxybenzonitrile,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.16g/mol |
| Monoisotopic Mass | 161.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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