| CAS Number | 119580-82-4 |
| Catalog Number | AG01BKIH(AGN-PC-0NZWMJ) |
| Chemical Name | Methyl 5-formyl-1-methyl-1H-pyrrole-3-carboxylate |
| IUPAC Name | methyl 5-formyl-1-methylpyrrole-3-carboxylate |
| InChI | InChI=1S/C8H9NO3/c1-9-4-6(8(11)12-2)3-7(9)5-10/h3-5H,1-2H3 |
| InChI Key | KZWOJEVANUUKNM-UHFFFAOYSA-N |
| MDL Number | MFCD02179583 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | O=C(C1=CN(C)C(C=O)=C1)OC |
| Synonyms | methyl 5-formyl-1-methyl-1H-pyrrole-3-carboxylate,
119580-82-4,
SCHEMBL2405805,
KZWOJEVANUUKNM-UHFFFAOYSA-N,
AKOS022637375,
1-Methyl-5-formyl-1H-pyrrole-3-carboxylic acid methyl ester,
1H-Pyrrole-3-carboxylic acid, 5-formyl-1-methyl-, methyl ester,
5-formyl-1-methyl-1h-pyrrole-3-carboxylic acid methyl ester,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number