| CAS Number | 1332627-31-2 |
| Catalog Number | AG00HSUI(AGN-PC-0WBQCJ) |
| Chemical Name | 4-Methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid |
| IUPAC Name | 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid |
| InChI | InChI=1S/C11H13NO2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14) |
| InChI Key | YPHSTQBSRIRNQJ-UHFFFAOYSA-N |
| MDL Number | MFCD21092073 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | CC1C2=C(C(C(O)=O)=CC=C2)NCC1 |
| Synonyms | 4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid,
1332627-31-2,
AKOS015958670,
MCULE-4591193991,
F9995-1738,
1,2,3,4-Tetrahydro-4-methylquinoline-8-carboxylic acid 97%,
1,2,3,4-Tetrahydro-4-methylquinoline-8-carboxylic acid, 97%,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number