| CAS Number | 1345515-22-1 |
| Catalog Number | AG009YNP(AGN-PC-0WAN03) |
| Chemical Name | 1-(3-Hydroxy-2-methylquinolin-4-yl)ethanone |
| IUPAC Name | 1-(3-hydroxy-2-methylquinolin-4-yl)ethanone |
| InChI | InChI=1S/C12H11NO2/c1-7-12(15)11(8(2)14)9-5-3-4-6-10(9)13-7/h3-6,15H,1-2H3 |
| InChI Key | NCOLGCZLACTJPT-UHFFFAOYSA-N |
| MDL Number | MFCD18207209 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| SMILES | CC(C1=C(O)C(C)=NC2=CC=CC=C12)=O |
| Synonyms | 1-(3-Hydroxy-2-methylquinolin-4-yl)ethanone,
1345515-22-1,
AK131314,
1-(3-Hydroxy-2-methylquinolin-4-yl)ethan-1-one,
SCHEMBL15487702,
DTXSID40744471,
MFCD18207209,
ZINC91356000,
AKOS016014764,
DS-6871,
AJ-130828,
AX8252237,
CS-0061396,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.225g/mol |
| Monoisotopic Mass | 201.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number