| CAS Number | 13317-12-9 |
| Catalog Number | AG01AI9U(AGN-PC-02SOGU) |
| Chemical Name | 1,7-Dimethyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid |
| IUPAC Name | 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid |
| InChI | InChI=1S/C11H10N2O3/c1-6-3-4-7-9(14)8(11(15)16)5-13(2)10(7)12-6/h3-5H,1-2H3,(H,15,16) |
| InChI Key | FIQGPIHRUIEFQF-UHFFFAOYSA-N |
| MDL Number | MFCD18838960 |
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.2087 |
| SMILES | CC1=NC2=C(C(C(C(O)=O)=CN2C)=O)C=C1 |
| Synonyms | 1,7-dimethyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid,
13317-12-9,
SCHEMBL11407347,
ZINC60268209,
AKOS000281439,
MCULE-4687584701,
EN300-77141,
AU-059/43519053,
Z1259339934,
1,7-dimethyl-4-oxo-1,4-dihydro[1,8]naphthyridine-3-carboxylic acid,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.212g/mol |
| Monoisotopic Mass | 218.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number