| CAS Number | 1183776-49-9 |
| Catalog Number | AG01C235 |
| Chemical Name | ethyl 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)acetate |
| IUPAC Name | ethyl 2-(3-formyl-2,5-dimethylpyrrol-1-yl)acetate |
| InChI | InChI=1S/C11H15NO3/c1-4-15-11(14)6-12-8(2)5-10(7-13)9(12)3/h5,7H,4,6H2,1-3H3 |
| InChI Key | LNMFDUNBZWQDOA-UHFFFAOYSA-N |
| MDL Number | MFCD12157487 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | CCOC(CN1C(C)=C(C=O)C=C1C)=O |
| Synonyms | 1183776-49-9,
ethyl 2-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)acetate,
ZINC37472706,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number