| CAS Number | 1017037-58-9 |
| Catalog Number | AG019URC |
| Chemical Name | 2-{4-[(pyridin-2-yl)methoxy]phenyl}acetonitrile |
| IUPAC Name | 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile |
| InChI | InChI=1S/C14H12N2O/c15-9-8-12-4-6-14(7-5-12)17-11-13-3-1-2-10-16-13/h1-7,10H,8,11H2 |
| InChI Key | HEBWZJBTVOOMCU-UHFFFAOYSA-N |
| MDL Number | MFCD09950290 |
| Molecular Formula | C14H12N2O |
| Molecular Weight | 224.2579 |
| SMILES | N#CCC1=CC=C(OCC2=NC=CC=C2)C=C1 |
| Synonyms | 2-[4-(pyridin-2-ylmethoxy)phenyl]acetonitrile,
1017037-58-9,
EN300-42597,
AC1Q4S1A,
CTK7C9782,
ZINC19518472,
AKOS000195997,
MCULE-6222544642,
NE39458,
SEL10402451,
|
| 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 |
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Certificate of Analysis
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