| CAS Number | 1609403-65-7 |
| Catalog Number | AG00J10T |
| Chemical Name | 2,5,7-trimethyl-4-quinolinecarboxylic acid hydrate |
| IUPAC Name | 2,5,7-trimethylquinoline-4-carboxylic acid;hydrate |
| InChI | InChI=1S/C13H13NO2.H2O/c1-7-4-8(2)12-10(13(15)16)6-9(3)14-11(12)5-7;/h4-6H,1-3H3,(H,15,16);1H2 |
| InChI Key | TVEUEDUQCOEJNU-UHFFFAOYSA-N |
| MDL Number | MFCD04035156 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | C1(=CC(C)=NC2=CC(C)=CC(C)=C12)C(O)=O.O |
| Synonyms | 2,5,7-Trimethyl-4-quinolinecarboxylic acid hydrate,
1609403-65-7,
ZX-CM002460,
MFCD13193831,
436092-02-3,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number