| CAS Number | 155650-56-9 |
| Catalog Number | AG001O3D(AGN-PC-03FXN5) |
| Chemical Name | 4-Methoxyoxane-4-carbonitrile |
| IUPAC Name | 4-methoxyoxane-4-carbonitrile |
| InChI | InChI=1S/C7H11NO2/c1-9-7(6-8)2-4-10-5-3-7/h2-5H2,1H3 |
| InChI Key | JYLRHRCUJLPODN-UHFFFAOYSA-N |
| MDL Number | MFCD21684400 |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.1677 |
| SMILES | COC1(C#N)CCOCC1 |
| Synonyms | 4-METHOXYTETRAHYDRO-2H-PYRAN-4-CARBONITRILE,
155650-56-9,
4-methoxyoxane-4-carbonitrile,
2H-Pyran-4-carbonitrile, tetrahydro-4-methoxy-,
4-methoxytetrahydropyran-4-carbonitrile,
SCHEMBL1439486,
4-cyano-4-methoxytetrahydropyran,
CTK0B0763,
DTXSID10618276,
JYLRHRCUJLPODN-UHFFFAOYSA-N,
MFCD21684400,
STL453433,
ZINC82164265,
AKOS015414454,
MCULE-5887708864,
AS-38338,
X-3713,
Z1483950804,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number