| CAS Number | 1242268-04-7 |
| Catalog Number | AG00IWN2(AGN-PC-0WAZHP) |
| Chemical Name | Methyl 2-cyano-2-(5-cyanopyridin-2-yl)acetate |
| IUPAC Name | methyl 2-cyano-2-(5-cyanopyridin-2-yl)acetate |
| InChI | InChI=1S/C10H7N3O2/c1-15-10(14)8(5-12)9-3-2-7(4-11)6-13-9/h2-3,6,8H,1H3 |
| InChI Key | XXLPXBLMHYJODO-UHFFFAOYSA-N |
| MDL Number | MFCD16622815 |
| Molecular Formula | C10H7N3O2 |
| Molecular Weight | 201.1815 |
| SMILES | O=C(OC)C(C#N)C1(=NC=C(C#N)C=C1) |
| Synonyms | methyl 2-cyano-2-(5-cyano-2-pyridinyl)acetate,
1242268-04-7,
methyl 2-cyano-2-(5-cyanopyridin-2-yl)acetate,
methylcyanocyanopyridinylacetate,
CTK7C5167,
ZX-RL002856,
MFCD16622815,
AKOS015836129,
FE-0722,
RP11752,
KS-0000253F,
OR303621,
TR-071383,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.185g/mol |
| Monoisotopic Mass | 201.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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