| CAS Number | 1354769-90-6 |
| Catalog Number | AG01EB5P(AGN-PC-0WGGJA) |
| Chemical Name | 4-Ethyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-ethyl-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H9NO2/c1-2-5-3-6(7(9)10)8-4-5/h3-4,8H,2H2,1H3,(H,9,10) |
| InChI Key | RPYGJTNQRMZPBM-UHFFFAOYSA-N |
| MDL Number | MFCD28654822 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | CCC1C=C(C(O)=O)NC=1 |
| Synonyms | 4-Ethyl-1H-pyrrole-2-carboxylic acid,
1354769-90-6,
SCHEMBL13614197,
ZINC78405030,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number