| CAS Number | 1019111-31-9 |
| Catalog Number | AG01DX6X |
| Chemical Name | 5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid |
| IUPAC Name | 5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid |
| InChI | InChI=1S/C10H11NO2/c12-10(13)9-6-11-5-7-3-1-2-4-8(7)9/h5-6H,1-4H2,(H,12,13) |
| InChI Key | FCCYYHPNRBUCBC-UHFFFAOYSA-N |
| MDL Number | MFCD09863909 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | OC(C1=C2C(CCCC2)=CN=C1)=O |
| Synonyms | 5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid,
AKOS005208167,
1019111-31-9,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number