| CAS Number | 2138256-24-1 |
| Catalog Number | AG01EK8M |
| Chemical Name | 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid hydrochloride |
| IUPAC Name | 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C11H13NO2.ClH/c1-7-6-9(11(13)14)8-4-2-3-5-10(8)12-7;/h6H,2-5H2,1H3,(H,13,14);1H |
| InChI Key | UMFANODIKQIMFQ-UHFFFAOYSA-N |
| MDL Number | MFCD31558671 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | Cl.CC1=NC2=C(CCCC2)C(C(O)=O)=C1 |
| Synonyms | 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylic acid hydrochloride,
2138256-24-1,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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