| CAS Number | 1437794-84-7 |
| Catalog Number | AG00AQJM |
| Chemical Name | 2-Oxo-3,4-dihydro-1H-quinoline-6-sulfonic Acid Hydrate |
| IUPAC Name | 2-oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid;hydrate |
| InChI | InChI=1S/C9H9NO4S.H2O/c11-9-4-1-6-5-7(15(12,13)14)2-3-8(6)10-9;/h2-3,5H,1,4H2,(H,10,11)(H,12,13,14);1H2 |
| InChI Key | RCIRKOPYWNTAJF-UHFFFAOYSA-N |
| MDL Number | MFCD24448809 |
| Molecular Formula | C9H11NO5S |
| Molecular Weight | 245.2523 |
| SMILES | O=C1CCc2c(N1)ccc(c2)S(=O)(=O)O.O |
| Synonyms | 2-OXO-3,4-DIHYDRO-1H-QUINOLINE-6-SULFONIC ACID HYDRATE,
1437794-84-7,
KM4082,
AKOS026673414,
V3299,
C9H11NO5S,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.249g/mol |
| Monoisotopic Mass | 245.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number