| CAS Number | 1262803-64-4 |
| Catalog Number | AG009GFQ |
| Chemical Name | Methyl 5-(hydroxymethyl)pyrazine-2-carboxylate |
| IUPAC Name | methyl 5-(hydroxymethyl)pyrazine-2-carboxylate |
| InChI | InChI=1S/C7H8N2O3/c1-12-7(11)6-3-8-5(4-10)2-9-6/h2-3,10H,4H2,1H3 |
| InChI Key | CCQQDZWMZNJQFH-UHFFFAOYSA-N |
| MDL Number | MFCD22572544 |
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.1500 |
| SMILES | COC(C1=NC=C(CO)N=C1)=O |
| Synonyms | methyl 5-(hydroxymethyl)pyrazine-2-carboxylate,
1262803-64-4,
SCHEMBL991320,
CCQQDZWMZNJQFH-UHFFFAOYSA-N,
MFCD22572544,
ZINC83319033,
AKOS023600543,
AS-43206,
SY131093,
FT-0746209,
MFCD22572544 (95%),
Z2588063710,
2-Pyrazinecarboxylic acid, 5-(hydroxymethyl)-, methyl ester,
5-(hydroxymethyl)-2-Pyrazinecarboxylic acid methyl ester,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.152g/mol |
| Monoisotopic Mass | 168.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number