| CAS Number | 1016772-36-3 |
| Catalog Number | AG01A3Q1(AGN-PC-0WO37R) |
| Chemical Name | 6-(2-Methoxyethoxy)pyridine-3-carbonitrile |
| IUPAC Name | 6-(2-methoxyethoxy)pyridine-3-carbonitrile |
| InChI | InChI=1S/C9H10N2O2/c1-12-4-5-13-9-3-2-8(6-10)7-11-9/h2-3,7H,4-5H2,1H3 |
| InChI Key | JNFWYSQNFRCPTR-UHFFFAOYSA-N |
| MDL Number | MFCD09933599 |
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.1879 |
| SMILES | COCCOC1=NC=C(C#N)C=C1 |
| Synonyms | 6-(2-methoxyethoxy)pyridine-3-carbonitrile,
1016772-36-3,
ZINC19438295,
AKOS000174886,
NE14635,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.191g/mol |
| Monoisotopic Mass | 178.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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