| CAS Number | 1206250-26-1 |
| Catalog Number | AG01A3YH(AGN-PC-0WO5R3) |
| Chemical Name | 5-(methoxycarbonyl)pyrazine-2-carboxylic acid |
| IUPAC Name | 5-methoxycarbonylpyrazine-2-carboxylic acid |
| InChI | InChI=1S/C7H6N2O4/c1-13-7(12)5-3-8-4(2-9-5)6(10)11/h2-3H,1H3,(H,10,11) |
| InChI Key | NHTJPSWLHXHXSA-UHFFFAOYSA-N |
| MDL Number | MFCD14581974 |
| Molecular Formula | C7H6N2O4 |
| Molecular Weight | 182.1335 |
| SMILES | O=C(C1=NC=C(C(OC)=O)N=C1)O |
| Synonyms | 5-(methoxycarbonyl)pyrazine-2-carboxylic acid,
1206250-26-1,
2,5-Pyrazinedicarboxylic acid, 2-methyl ester,
SCHEMBL5700876,
MFCD14581974,
ZINC59970738,
AKOS026327836,
MCULE-8341015042,
NE61924,
5-(Methoxycarbonyl)-2-pyrazinecarboxylic acid,
Z1768160824,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.135g/mol |
| Monoisotopic Mass | 182.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number