| CAS Number | 1221794-83-7 |
| Catalog Number | AG0016VS(AGN-PC-0WA33B) |
| Chemical Name | (Z)-Methyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate |
| IUPAC Name | methyl (2Z)-2-cyano-2-(5-nitro-1H-pyridin-2-ylidene)acetate |
| InChI | InChI=1S/C9H7N3O4/c1-16-9(13)7(4-10)8-3-2-6(5-11-8)12(14)15/h2-3,5,11H,1H3/b8-7- |
| InChI Key | YCCVKFVOTUBORA-FPLPWBNLSA-N |
| MDL Number | MFCD16036153 |
| Molecular Formula | C9H7N3O4 |
| Molecular Weight | 221.1696 |
| SMILES | O(C)C(/C(/C#N)=C1/C=CC(=CN/1)[N+](=O)[O-])=O |
| Synonyms | 1221794-83-7,
(Z)-Methyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate,
Methyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate,
MFCD16036153,
AKOS015836174,
ZINC100007296,
AJ-115183,
AX8229080,
ST2407150,
Z8604,
B-3491,
I14-25009,
C9H7N3O4,
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| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 221.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.172g/mol |
| Monoisotopic Mass | 221.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number