| CAS Number | 39741-43-0 |
| Catalog Number | AG0077FZ(AGN-PC-05ALDU) |
| Chemical Name | 1-Ethyl-5-methyl-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 1-ethyl-5-methylpyrrole-2-carbaldehyde |
| InChI | InChI=1S/C8H11NO/c1-3-9-7(2)4-5-8(9)6-10/h4-6H,3H2,1-2H3 |
| InChI Key | DSOIXNQTUQYWRB-UHFFFAOYSA-N |
| MDL Number | MFCD12827513 |
| Molecular Formula | C8H11NO |
| Molecular Weight | 137.1790 |
| SMILES | N1(CC)C(C)=CC=C1C=O |
| Synonyms | 1-Ethyl-5-methyl-1H-pyrrole-2-carbaldehyde,
39741-43-0,
1H-Pyrrole-2-carboxaldehyde, 1-ethyl-5-methyl-,
CTK1B3729,
DTXSID40650760,
SP714,
ZX-CM008330,
4706AH,
FCH923833,
MFCD12827513,
ZINC17811745,
AKOS000111783,
AJ-70154,
K-8531,
C8H11NO,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.182g/mol |
| Monoisotopic Mass | 137.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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