| CAS Number | 1344313-62-7 |
| Catalog Number | AG01AFX0(AGN-PC-0WOQ8J) |
| Chemical Name | 3-[(4-Methoxyphenyl)amino]oxolane-3-carbonitrile |
| IUPAC Name | 3-(4-methoxyanilino)oxolane-3-carbonitrile |
| InChI | InChI=1S/C12H14N2O2/c1-15-11-4-2-10(3-5-11)14-12(8-13)6-7-16-9-12/h2-5,14H,6-7,9H2,1H3 |
| InChI Key | PUVIBCXFHNYCMW-UHFFFAOYSA-N |
| MDL Number | MFCD18333639 |
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.2518 |
| SMILES | COC1=CC=C(NC2(C#N)COCC2)C=C1 |
| Synonyms | 1344313-62-7,
3-[(4-methoxyphenyl)amino]oxolane-3-carbonitrile,
3-[(4-methoxyphenyl)amino]tetrahydrofuran-3-carbonitrile,
AKOS012640216,
MCULE-4959845200,
BS-12427,
BC4483304,
EN300-156081,
Z1742056075,
3-(4-Methoxy-phenylamino)-tetrahydro-furan-3-carbonitrile,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.256g/mol |
| Monoisotopic Mass | 218.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number