| CAS Number | 1337880-79-1 |
| Catalog Number | AG009VWH |
| Chemical Name | 3-aminoisoquinoline-6-carboxylic acid |
| IUPAC Name | 3-aminoisoquinoline-6-carboxylic acid |
| InChI | InChI=1S/C10H8N2O2/c11-9-4-8-3-6(10(13)14)1-2-7(8)5-12-9/h1-5H,(H2,11,12)(H,13,14) |
| InChI Key | QFLMVHHJMPJLKY-UHFFFAOYSA-N |
| MDL Number | MFCD22380192 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | NC1=CC2=C(C=CC(=C2)C(O)=O)C=N1 |
| Synonyms | 3-AMINOISOQUINOLINE-6-CARBOXYLIC ACID,
1337880-79-1,
SCHEMBL2671581,
DTXSID90737378,
QFLMVHHJMPJLKY-UHFFFAOYSA-N,
MFCD22380192,
ZINC91692362,
6-Isoquinolinecarboxylic acid, 3-amino-,
AS-38808,
3-amino-6-Isoquinolinecarboxylic acid,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.186g/mol |
| Monoisotopic Mass | 188.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number