| CAS Number | 138560-54-0 |
| Catalog Number | AG00A9AV(AGN-PC-07ABRF) |
| Chemical Name | Methyl 5-Cyanopyrazine-2-carboxylate |
| IUPAC Name | methyl 5-cyanopyrazine-2-carboxylate |
| InChI | InChI=1S/C7H5N3O2/c1-12-7(11)6-4-9-5(2-8)3-10-6/h3-4H,1H3 |
| InChI Key | AEJBPQGVYKLSNF-UHFFFAOYSA-N |
| MDL Number | MFCD15144428 |
| Molecular Formula | C7H5N3O2 |
| Molecular Weight | 163.1335 |
| SMILES | O=C(C1=NC=C(C#N)N=C1)OC |
| Synonyms | methyl 5-cyanopyrazine-2-carboxylate,
138560-54-0,
methyl 5-cyanopyrazinecarboxylate,
Pyrazinecarboxylic acid, 5-cyano-, methyl ester (9CI),
CTK8G8964,
Methyl 5-cyano-2-pyrazinecarboxylate,
ZINC39058391,
AKOS025405191,
5-Methoxycarbonyl-2-pyrazinecarbonitrile,
DA-45447,
FT-0723709,
Pyrazinecarboxylicacid,5-cyano-,methylester,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.136g/mol |
| Monoisotopic Mass | 163.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number