| CAS Number | 932186-53-3 |
| Catalog Number | AG00IHIC(AGN-PC-02K916) |
| Chemical Name | N-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)acetamide |
| IUPAC Name | N-(3-formyl-2,5-dimethylpyrrol-1-yl)acetamide |
| InChI | InChI=1S/C9H12N2O2/c1-6-4-9(5-12)7(2)11(6)10-8(3)13/h4-5H,1-3H3,(H,10,13) |
| InChI Key | MSFJUGZYTYMJBO-UHFFFAOYSA-N |
| MDL Number | MFCD09675014 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | N1(NC(C)=O)C(C)=CC(C=O)=C1C |
| Synonyms | N-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)ACETAMIDE,
932186-53-3,
CTK5H2201,
DTXSID10600055,
ZX-CM006838,
7467AH,
FCH922955,
MFCD09675014,
STL411910,
ZINC13633470,
AKOS000295478,
MCULE-5084645068,
AJ-64248,
Y-5305,
N-(3-formyl-2,5-dimethylpyrrol-1-yl)acetamide,
C9H12N2O2,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number