| CAS Number | 104179-54-6 |
| Catalog Number | AG00HAAV(AGN-PC-040VBT) |
| Chemical Name | Methyl 3-Hydroxy-2-methylquinoline-4-carboxylate |
| IUPAC Name | methyl 3-hydroxy-2-methylquinoline-4-carboxylate |
| InChI | InChI=1S/C12H11NO3/c1-7-11(14)10(12(15)16-2)8-5-3-4-6-9(8)13-7/h3-6,14H,1-2H3 |
| InChI Key | QJHDNWZFADKDFR-UHFFFAOYSA-N |
| MDL Number | MFCD27578194 |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| SMILES | O=C(OC)C1(=C(O)C(=NC2(=C1C=CC=C2))C) |
| Synonyms | Methyl 3-Hydroxy-2-methylquinoline-4-carboxylate,
104179-54-6,
SCHEMBL8170480,
KS-00003TKL,
ZINC97756705,
AKOS026675846,
TS-03112,
3-hydroxy-2-methyl-quinoline-4-carboxylic acid methyl ester,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.224g/mol |
| Monoisotopic Mass | 217.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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