| CAS Number | 923113-44-4 |
| Catalog Number | AG019K9Q(AGN-PC-0WO63X) |
| Chemical Name | 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C10H12N2O3/c13-9(12-3-1-2-4-12)8-5-7(6-11-8)10(14)15/h5-6,11H,1-4H2,(H,14,15) |
| InChI Key | CZULJFJPGZUPHO-UHFFFAOYSA-N |
| MDL Number | MFCD08691204 |
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.2139 |
| SMILES | O=C(C1=CNC(C(N2CCCC2)=O)=C1)O |
| Synonyms | 5-(Pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxylic acid,
923113-44-4,
5-(pyrrolidin-1-ylcarbonyl)-1H-pyrrole-3-carboxylic acid,
AC1Q740C,
CTK7F5278,
ZINC9914376,
AKOS009104614,
MCULE-9166095530,
EN300-26099,
5-(1-pyrrolidinylcarbonyl)-1H-pyrrole-3-carboxylic acid,
Z220542622,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.217g/mol |
| Monoisotopic Mass | 208.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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