| CAS Number | 436096-46-7 |
| Catalog Number | AG00DATQ(AGN-PC-0WB6DL) |
| Chemical Name | 2,7,8-trimethyl-4-quinolinecarboxylic acid |
| IUPAC Name | 2,7,8-trimethylquinoline-4-carboxylic acid |
| InChI | InChI=1S/C13H13NO2/c1-7-4-5-10-11(13(15)16)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3,(H,15,16) |
| InChI Key | HRQOZCJRHHXDEK-UHFFFAOYSA-N |
| MDL Number | MFCD28024644 |
| Molecular Formula | C13H13NO2 |
| Molecular Weight | 215.2478 |
| SMILES | C12=C(C)C(C)=CC=C1C(=CC(C)=N2)C(O)=O |
| Synonyms | 2,7,8-trimethylquinoline-4-carboxylic Acid,
436096-46-7,
CHEMBRDG-BB 4003471,
CTK4I7576,
DTXSID50360702,
ZINC875130,
ZX-CM010962,
AKOS010212130,
ACM436096467,
AJ-24128,
Y-1065,
CID1134104,
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| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.252g/mol |
| Monoisotopic Mass | 215.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number