| CAS Number | 1247103-26-9 |
| Catalog Number | AG01A4I6(AGN-PC-0WODOB) |
| Chemical Name | 4-Cyclopropyl-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 4-cyclopropyl-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C8H9NO2/c10-8(11)7-4-9-3-6(7)5-1-2-5/h3-5,9H,1-2H2,(H,10,11) |
| InChI Key | FMFHNWWKATXURM-UHFFFAOYSA-N |
| MDL Number | MFCD16707047 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | C1(CC1)C=1C(=CNC1)C(=O)O |
| Synonyms | 4-cyclopropyl-1H-pyrrole-3-carboxylic acid,
1247103-26-9,
ZINC51690959,
AKOS011597347,
MCULE-9041587831,
NE58354,
Z1868430497,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.165g/mol |
| Monoisotopic Mass | 151.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number