| CAS Number | 1087792-60-6 |
| Catalog Number | AG019N5N |
| Chemical Name | 2-[(4-hydroxyquinolin-3-yl)formamido]acetic acid |
| IUPAC Name | 2-[(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid |
| InChI | InChI=1S/C12H10N2O4/c15-10(16)6-14-12(18)8-5-13-9-4-2-1-3-7(9)11(8)17/h1-5H,6H2,(H,13,17)(H,14,18)(H,15,16) |
| InChI Key | BWWCXCZXHAOMCL-UHFFFAOYSA-N |
| MDL Number | MFCD11505445 |
| Molecular Formula | C12H10N2O4 |
| Molecular Weight | 246.2188 |
| SMILES | OC(CNC(C1=C(O)C2=C(C=CC=C2)N=C1)=O)=O |
| Synonyms | 2-[(4-hydroxyquinolin-3-yl)formamido]acetic acid,
1087792-60-6,
{[(4-hydroxyquinolin-3-yl)carbonyl]amino}acetic acid,
AC1Q75XQ,
SCHEMBL17338647,
CTK7J5230,
ZINC32627599,
AKOS008124416,
AKOS009354346,
MCULE-7563407493,
NE18547,
EN300-39456,
Z398513474,
([(4-hydroxyquinolin-3-yl)carbonyl]amino)acetic acid,
|
| Complexity | 416 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.222g/mol |
| Monoisotopic Mass | 246.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number