| CAS Number | 1505069-69-1 |
| Catalog Number | AG01DVFN |
| Chemical Name | 5-propyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 5-propyl-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C8H11NO2/c1-2-3-6-4-5-7(9-6)8(10)11/h4-5,9H,2-3H2,1H3,(H,10,11) |
| InChI Key | ANCHSDGIYBQDOA-UHFFFAOYSA-N |
| MDL Number | MFCD22394456 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | CCCC1NC(C(O)=O)=CC=1 |
| Synonyms | ZINC77260690,
AKOS023252576,
5-propyl-1H-pyrrole-2-carboxylic acid,
1505069-69-1,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number