| CAS Number | 1016850-10-4 |
| Catalog Number | AG019V81 |
| Chemical Name | 2-{4-[(pyridin-3-yl)methoxy]phenyl}acetonitrile |
| IUPAC Name | 2-[4-(pyridin-3-ylmethoxy)phenyl]acetonitrile |
| InChI | InChI=1S/C14H12N2O/c15-8-7-12-3-5-14(6-4-12)17-11-13-2-1-9-16-10-13/h1-6,9-10H,7,11H2 |
| InChI Key | DLLACNZUXKDFFW-UHFFFAOYSA-N |
| MDL Number | MFCD09946536 |
| Molecular Formula | C14H12N2O |
| Molecular Weight | 224.2579 |
| SMILES | N#CCC1=CC=C(OCC2=CN=CC=C2)C=C1 |
| Synonyms | 2-[4-(pyridin-3-ylmethoxy)phenyl]acetonitrile,
1016850-10-4,
EN300-44024,
AC1Q4S19,
CTK7C9783,
ZINC19509301,
AKOS000188806,
MCULE-6322888904,
NE24486,
SEL10402429,
2-{4-[(pyridin-3-yl)methoxy]phenyl}acetonitrile,
Z316273378,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.263g/mol |
| Monoisotopic Mass | 224.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number