| CAS Number | 148258-03-1 |
| Catalog Number | AG00ABVQ(AGN-PC-0NLIES) |
| Chemical Name | Methyl 2,6-bis(hydroxymethyl)isonicotinate |
| IUPAC Name | methyl 2,6-bis(hydroxymethyl)pyridine-4-carboxylate |
| InChI | InChI=1S/C9H11NO4/c1-14-9(13)6-2-7(4-11)10-8(3-6)5-12/h2-3,11-12H,4-5H2,1H3 |
| InChI Key | PGWLYZSVSSOHMO-UHFFFAOYSA-N |
| MDL Number | MFCD22376659 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | COC(C1=CC(CO)=NC(CO)=C1)=O |
| Synonyms | Methyl 2,6-bis(hydroxymethyl)isonicotinate,
148258-03-1,
SCHEMBL9199044,
2,6-bis(hydroxymethyl)-4-Pyridinecarboxylic acid methyl ester,
MFCD22376659,
ZINC60034478,
AS-37951,
DA-18805,
FT-0769777,
4-Pyridinecarboxylic acid, 2,6-bis(hydroxymethyl)-, methyl ester,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number