| CAS Number | 40321-44-6 |
| Catalog Number | AG00378S(AGN-PC-00K61Q) |
| Chemical Name | 2-oxo-1-Pyrrolidinecarboxaldehyde |
| IUPAC Name | 2-oxopyrrolidine-1-carbaldehyde |
| InChI | InChI=1S/C5H7NO2/c7-4-6-3-1-2-5(6)8/h4H,1-3H2 |
| InChI Key | XALHICXNSREUAV-UHFFFAOYSA-N |
| MDL Number | MFCD19690622 |
| Molecular Formula | C5H7NO2 |
| Molecular Weight | 113.1146 |
| SMILES | O=C1N(CCC1)C=O |
| Synonyms | 40321-44-6,
2-Oxopyrrolidine-1-carbaldehyde,
1-Pyrrolidinecarboxaldehyde, 2-oxo-,
2-oxo-pyrrolidine-1-carbaldehyde,
N-formyl pyrrolidinone,
SCHEMBL874338,
CTK1D4650,
DTXSID50513493,
2-Oxo-1-pyrrolidinecarboxaldehyde,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.116g/mol |
| Monoisotopic Mass | 113.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number