| CAS Number | 1094760-75-4 |
| Catalog Number | AG01BK0D |
| Chemical Name | 2-propoxyquinoline-3-carboxylic acid |
| IUPAC Name | 2-propoxyquinoline-3-carboxylic acid |
| InChI | InChI=1S/C13H13NO3/c1-2-7-17-12-10(13(15)16)8-9-5-3-4-6-11(9)14-12/h3-6,8H,2,7H2,1H3,(H,15,16) |
| InChI Key | OKXRKSVCQCZTEZ-UHFFFAOYSA-N |
| MDL Number | MFCD11619325 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.2472 |
| SMILES | CCCOC1=C(C(O)=O)C=C2C(C=CC=C2)=N1 |
| Synonyms | 2-propoxyquinoline-3-carboxylic acid,
1094760-75-4,
ZINC37025623,
AKOS009397853,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.251g/mol |
| Monoisotopic Mass | 231.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number