| CAS Number | 1517011-06-1 |
| Catalog Number | AG01B2HX |
| Chemical Name | 5H,6H,7H,8H-[1,2,3,4]Tetrazolo[1,5-a]pyridine-6-carboxylic acid |
| IUPAC Name | 5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C6H8N4O2/c11-6(12)4-1-2-5-7-8-9-10(5)3-4/h4H,1-3H2,(H,11,12) |
| InChI Key | FIBVNNRIJWGZOZ-UHFFFAOYSA-N |
| MDL Number | MFCD30647497 |
| Molecular Formula | C6H8N4O2 |
| Molecular Weight | 168.1533 |
| SMILES | OC(C1CN2C(=NN=N2)CC1)=O |
| Synonyms | 5H,6H,7H,8H-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxylic acid,
1517011-06-1,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.156g/mol |
| Monoisotopic Mass | 168.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
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