| CAS Number | 1234914-99-8 |
| Catalog Number | AG019V7T(AGN-PC-0WOBED) |
| Chemical Name | 1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO4/c1-14-5-4-10-6-7(9(12)13)2-3-8(10)11/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChI Key | RUGPECRKGZFPPY-UHFFFAOYSA-N |
| MDL Number | MFCD11118470 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | COCCN1C=C(C=CC1=O)C(=O)O |
| Synonyms | 1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
1234914-99-8,
AC1Q4G1D,
SCHEMBL4248991,
RUGPECRKGZFPPY-UHFFFAOYSA-N,
ZINC20556968,
AKOS008116270,
KS-7767,
MCULE-9338517079,
NE61190,
EN300-44014,
AB00997252-01,
1-(2-methoxy-ethyl)-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid,
|
| Complexity | 306 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number