| CAS Number | 1982213-91-1 |
| Catalog Number | AG00J3GK(AGN-PC-0WRAVO) |
| Chemical Name | 2-cyclopropyl-4-quinolinecarboxylic acid hydrate |
| IUPAC Name | 2-cyclopropylquinoline-4-carboxylic acid;hydrate |
| InChI | InChI=1S/C13H11NO2.H2O/c15-13(16)10-7-12(8-5-6-8)14-11-4-2-1-3-9(10)11;/h1-4,7-8H,5-6H2,(H,15,16);1H2 |
| InChI Key | XQWKGZVXOCNEDF-UHFFFAOYSA-N |
| MDL Number | MFCD26959528 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | C1(C(O)=O)C2=CC=CC=C2N=C(C2CC2)C=1.O |
| Synonyms | 2-cyclopropyl-4-quinolinecarboxylic acid hydrate,
1982213-91-1,
ZX-CM014885,
MFCD26959528,
2-Cyclopropylquinoline-4-carboxylic acid hydrate,
119778-64-2,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.251g/mol |
| Monoisotopic Mass | 231.09g/mol |
| Rotatable Bond Count | 2 |
| 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