| CAS Number | 1263180-59-1 |
| Catalog Number | AG00HRH3(AGN-PC-0WG4UA) |
| Chemical Name | 3-(1H-Pyrazol-3-yl)indolizine-1-carboxylic acid |
| IUPAC Name | 3-(1H-pyrazol-5-yl)indolizine-1-carboxylic acid |
| InChI | InChI=1S/C12H9N3O2/c16-12(17)8-7-11(9-4-5-13-14-9)15-6-2-1-3-10(8)15/h1-7H,(H,13,14)(H,16,17) |
| InChI Key | TYYVKWOCYMJMLF-UHFFFAOYSA-N |
| MDL Number | MFCD18792896 |
| Molecular Formula | C12H9N3O2 |
| Molecular Weight | 227.2188 |
| SMILES | OC(=O)c1cc(-c2cc[nH]n2)n2ccccc12 |
| Synonyms | 3-(1H-Pyrazol-3-yl)-indolizine-1-carboxylic acid,
1263180-59-1,
3-(1H-Pyrazol-3-yl)indolizine-1-carboxylic acid,
MFCD18792896,
AKOS027429060,
AM805792,
CS-0035455,
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| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.223g/mol |
| Monoisotopic Mass | 227.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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