| CAS Number | 1070879-90-1 |
| Catalog Number | AG007B62(AGN-PC-0WR1NV) |
| Chemical Name | 4-Hydroxy-7-methoxy-2-propylquinoline |
| IUPAC Name | 7-methoxy-2-propyl-1H-quinolin-4-one |
| InChI | InChI=1S/C13H15NO2/c1-3-4-9-7-13(15)11-6-5-10(16-2)8-12(11)14-9/h5-8H,3-4H2,1-2H3,(H,14,15) |
| InChI Key | ICTVIROHKNNYDF-UHFFFAOYSA-N |
| MDL Number | MFCD11505253 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | CCCc1cc(=O)c2c([nH]1)cc(cc2)OC |
| Synonyms | 4-Hydroxy-7-methoxy-2-propylquinoline,
1070879-90-1,
SCHEMBL3626501,
CTK8E5539,
CTK8F7316,
DTXSID40653736,
MFCD11505253,
ZINC32099911,
7-Methoxy-2-propylquinolin-4(1H)-one,
OR309306,
T6151,
7-methoxy-2-propyl-4-quinolinol, AldrichCPR,
7-Methoxy-2-propyl-4-quinolinol,
7-methoxy-2-propyl-1H-quinolin-4-one,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number