| CAS Number | 13138-72-2 |
| Catalog Number | AG019LJ9(AGN-PC-0NLEM1) |
| Chemical Name | 5-Nitro-1H-Pyrrole-2-Carboxylic Acid |
| IUPAC Name | 5-nitro-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C5H4N2O4/c8-5(9)3-1-2-4(6-3)7(10)11/h1-2,6H,(H,8,9) |
| InChI Key | VAOZHQMZMOXIRY-UHFFFAOYSA-N |
| MDL Number | MFCD09971490 |
| Molecular Formula | C5H4N2O4 |
| Molecular Weight | 156.0963 |
| SMILES | [N+](=O)([O-])C1=CC=C(N1)C(=O)O |
| Synonyms | 5-nitro-1H-pyrrole-2-carboxylic acid,
13138-72-2,
1H-Pyrrole-2-carboxylic acid, 5-nitro-,
AC1Q73BS,
SCHEMBL3994803,
CTK7I7604,
5-nitropyrrole-2-carboxylic acid,
DTXSID90625206,
VAOZHQMZMOXIRY-UHFFFAOYSA-N,
ZINC20282286,
AKOS009171054,
MCULE-1472137702,
QC-5305,
TX-017235,
EN300-31446,
Z1172115947,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.097g/mol |
| Monoisotopic Mass | 156.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 98.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number