| CAS Number | 1017031-23-0 |
| Catalog Number | AG019V4E(AGN-PC-0WOUEL) |
| Chemical Name | 1-propyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-propylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C8H11NO2/c1-2-5-9-6-3-4-7(9)8(10)11/h3-4,6H,2,5H2,1H3,(H,10,11) |
| InChI Key | UZNOGUIVJCIQGE-UHFFFAOYSA-N |
| MDL Number | MFCD09951771 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | CCCN1C(C(O)=O)=CC=C1 |
| Synonyms | 1-propyl-1H-pyrrole-2-carboxylic acid,
1017031-23-0,
SCHEMBL5776620,
ZINC19802944,
AKOS000194922,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number