| CAS Number | 57278-51-0 |
| Catalog Number | AG01BE3M(AGN-PC-0JVNS9) |
| Chemical Name | 4-Oxo-6-phenoxy-1,4-dihydroquinoline-3-carboxylic acid |
| IUPAC Name | 4-oxo-6-phenoxy-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C16H11NO4/c18-15-12-8-11(21-10-4-2-1-3-5-10)6-7-14(12)17-9-13(15)16(19)20/h1-9H,(H,17,18)(H,19,20) |
| InChI Key | NTPGNGGZYMRORF-UHFFFAOYSA-N |
| MDL Number | MFCD05744847 |
| Molecular Formula | C16H11NO4 |
| Molecular Weight | 281.2628 |
| SMILES | OC(C1C(=O)C2=C(C=CC(=C2)OC2=CC=CC=C2)NC=1)=O |
| Synonyms | 4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carboxylic acid,
57278-51-0,
AC1LEFQQ,
4-oxo-6-phenoxy-1H-quinoline-3-carboxylic Acid,
CHEMBL387189,
SCHEMBL4748370,
ZINC9379551,
AKOS002356291,
AKOS015966609,
MCULE-1867198604,
NE37622,
ST50208358,
4-oxo-6-phenoxyhydroquinoline-3-carboxylic acid,
Z1863617848,
CID735365,
|
| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.267g/mol |
| Monoisotopic Mass | 281.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number