| CAS Number | 1087792-45-7 |
| Catalog Number | AG019N04 |
| Chemical Name | 3-(pyridin-4-ylmethoxy)benzaldehyde oxime |
| IUPAC Name | N-[[3-(pyridin-4-ylmethoxy)phenyl]methylidene]hydroxylamine |
| InChI | InChI=1S/C13H12N2O2/c16-15-9-12-2-1-3-13(8-12)17-10-11-4-6-14-7-5-11/h1-9,16H,10H2 |
| InChI Key | QJAUVMPFIUMOLH-UHFFFAOYSA-N |
| MDL Number | MFCD11099624 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | ON=CC1=CC(OCC2=CC=NC=C2)=CC=C1 |
| Synonyms | 1087792-45-7,
N-{[3-(pyridin-4-ylmethoxy)phenyl]methylidene}hydroxylamine,
CTK8A6498,
MCULE-9071608527,
Z394693560,
N-({3-[(pyridin-4-yl)methoxy]phenyl}methylidene)hydroxylamine,
3-(pyridin-4-ylmethoxy)benzaldehyde oxime,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.251g/mol |
| Monoisotopic Mass | 228.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number