| CAS Number | 1219022-85-1 |
| Catalog Number | AG01APO5(AGN-PC-0WCNEK) |
| Chemical Name | 1,2,3,4-Tetrahydro-1,6-naphthyridine-8-carboxylic acid |
| IUPAC Name | 1,2,3,4-tetrahydro-1,6-naphthyridine-8-carboxylic acid |
| InChI | InChI=1S/C9H10N2O2/c12-9(13)7-5-10-4-6-2-1-3-11-8(6)7/h4-5,11H,1-3H2,(H,12,13) |
| InChI Key | MIOXCERCZKNCNY-UHFFFAOYSA-N |
| MDL Number | MFCD21091455 |
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.1879 |
| SMILES | OC(C1=C2C(CCCN2)=CN=C1)=O |
| Synonyms | 1,2,3,4-tetrahydro-1,6-naphthyridine-8-carboxylic acid,
1219022-85-1,
SBB081644,
ZINC40165653,
AKOS000276549,
MCULE-5921110175,
L-4657,
F1957-0103,
1,2,3,4-tetrahydropyridino[4,3-b]pyridine-8-carboxylic acid,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.191g/mol |
| Monoisotopic Mass | 178.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number