| CAS Number | 118249-55-1 |
| Catalog Number | AG01A12F |
| Chemical Name | 2-((5-Nitroquinolin-8-yl)oxy)acetic acid |
| IUPAC Name | 2-(5-nitroquinolin-8-yl)oxyacetic acid |
| InChI | InChI=1S/C11H8N2O5/c14-10(15)6-18-9-4-3-8(13(16)17)7-2-1-5-12-11(7)9/h1-5H,6H2,(H,14,15) |
| InChI Key | QYEJMQBTJAWJIM-UHFFFAOYSA-N |
| MDL Number | MFCD13232222 |
| Molecular Formula | C11H8N2O5 |
| Molecular Weight | 248.1916 |
| SMILES | OC(COC1=C2C(C=CC=N2)=C([N+]([O-])=O)C=C1)=O |
| Synonyms | 118249-55-1,
2-[(5-nitroquinolin-8-yl)oxy]acetic acid,
2-(5-nitroquinolin-8-yloxy)acetic acid,
2-((5-Nitroquinolin-8-yl)oxy)acetic acid,
ZINC37489493,
AKOS009112436,
MCULE-7165857388,
NE42855,
Z228583314,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.194g/mol |
| Monoisotopic Mass | 248.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number