| CAS Number | 21962-50-5 |
| Catalog Number | AG019PSS |
| Chemical Name | 5-Formyl-2-methoxybenzonitrile |
| IUPAC Name | 5-formyl-2-methoxybenzonitrile |
| InChI | InChI=1S/C9H7NO2/c1-12-9-3-2-7(6-11)4-8(9)5-10/h2-4,6H,1H3 |
| InChI Key | DNIULCZQFGZTRF-UHFFFAOYSA-N |
| MDL Number | MFCD18394185 |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.1574 |
| SMILES | N#CC1=CC(C=O)=CC=C1OC |
| Synonyms | 5-formyl-2-methoxybenzonitrile,
21962-50-5,
Benzonitrile, 5-formyl-2-methoxy-,
3-cyano-4-methoxybenzaldehyde,
SCHEMBL481230,
5-formyl-2-methoxy-benzonitrile,
DNIULCZQFGZTRF-UHFFFAOYSA-N,
ZINC71372565,
AKOS017516025,
NE30500,
DB-113757,
EN300-86390,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.047678g/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 | 161.047678g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number