| CAS Number | 1956355-01-3 |
| Catalog Number | AG01EFNV |
| Chemical Name | 2-(4-Phenyltetrahydro-2H-pyran-4-yl)malononitrile |
| IUPAC Name | 2-(4-phenyloxan-4-yl)propanedinitrile |
| InChI | InChI=1S/C14H14N2O/c15-10-13(11-16)14(6-8-17-9-7-14)12-4-2-1-3-5-12/h1-5,13H,6-9H2 |
| InChI Key | XHIZHAVPTPRQIK-UHFFFAOYSA-N |
| MDL Number | MFCD29917105 |
| Molecular Formula | C14H14N2O |
| Molecular Weight | 226.2738 |
| SMILES | N#CC(C#N)C1(CCOCC1)c1ccccc1 |
| Synonyms | 2-(4-Phenyltetrahydro-2H-pyran-4-yl)malononitrile,
1956355-01-3,
MFCD29917105,
AKOS027256546,
ZINC306145246,
2-(4-phenyloxan-4-yl)propanedinitrile,
TZ000835,
CS-0039656,
Propanedinitrile, 2-(tetrahydro-4-phenyl-2H-pyran-4-yl)-,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.279g/mol |
| Monoisotopic Mass | 226.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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