| CAS Number | 1378467-76-5 |
| Catalog Number | AG01A4US(AGN-PC-0WOAIH) |
| Chemical Name | Pyrrolo[1,2-b]pyridazine-7-carboxylic acid |
| IUPAC Name | pyrrolo[1,2-b]pyridazine-7-carboxylic acid |
| InChI | InChI=1S/C8H6N2O2/c11-8(12)7-4-3-6-2-1-5-9-10(6)7/h1-5H,(H,11,12) |
| InChI Key | ZUDMJBKRAYBLAN-UHFFFAOYSA-N |
| MDL Number | MFCD18915078 |
| Molecular Formula | C8H6N2O2 |
| Molecular Weight | 162.1454 |
| SMILES | N=1N2C(C=CC1)=CC=C2C(=O)O |
| Synonyms | pyrrolo[1,2-b]pyridazine-7-carboxylic acid,
1378467-76-5,
ZINC73733747,
AKOS023092666,
NE42138,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.148g/mol |
| Monoisotopic Mass | 162.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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