| CAS Number | 2162962-69-6 |
| Catalog Number | AG01EOJW(AGN-PC-3H46EI) |
| Chemical Name | CU-CPT-9b |
| IUPAC Name | 4-(4-hydroxy-3-methylphenyl)quinolin-7-ol |
| InChI | InChI=1S/C16H13NO2/c1-10-8-11(2-5-16(10)19)13-6-7-17-15-9-12(18)3-4-14(13)15/h2-9,18-19H,1H3 |
| InChI Key | QXFYDRYRLOHSBD-UHFFFAOYSA-N |
| MDL Number | MFCD31692417 |
| Molecular Formula | C16H13NO2 |
| Molecular Weight | 251.2799 |
| SMILES | OC1=C(C=C(C=C1)C1=CC=NC2=CC(=CC=C12)O)C |
| Synonyms | CU-CPT-9b,
2162962-69-6,
4-(4-hydroxy-3-methylphenyl)quinolin-7-ol,
4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol,
HY-112051,
AK00779582,
CS-0042513,
2-Methyl-4-(7-hydroxyl-4-quinolinyl)-phenol,
7VF,
CU-CPT-9a,
ACN-053202,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.285g/mol |
| Monoisotopic Mass | 251.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number