| CAS Number | 82345-76-4 |
| Catalog Number | AG00J3GO(AGN-PC-03FTQT) |
| Chemical Name | 5,6,7,8-Tetrahydroquinoline-3-carboxylic acid |
| IUPAC Name | 5,6,7,8-tetrahydroquinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H11NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h5-6H,1-4H2,(H,12,13) |
| InChI Key | CGCBJIIKIYQYAQ-UHFFFAOYSA-N |
| MDL Number | MFCD09035050 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | C1(=CN=C2C(CCCC2)=C1)C(O)=O |
| Synonyms | 5,6,7,8-Tetrahydroquinoline-3-carboxylic acid,
5,6,7,8-tetrahydro-3-quinolinecarboxylic acid,
82345-76-4,
SCHEMBL3805068,
CGCBJIIKIYQYAQ-UHFFFAOYSA-N,
MFCD09035050,
ZINC20442001,
AKOS004121016,
AJ-77626,
5,6,7,8-tetrahydroquinoline-3-carboxylic,
Y-4805,
102236-77-1,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number