| CAS Number | 1181894-93-8 |
| Catalog Number | AG019VJD(AGN-PC-0WO8A4) |
| Chemical Name | 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C11H15NO3/c1-4-5-8-9(7(3)13)6(2)12-10(8)11(14)15/h12H,4-5H2,1-3H3,(H,14,15) |
| InChI Key | DAQAQWGFAZEZLJ-UHFFFAOYSA-N |
| MDL Number | MFCD12197202 |
| Molecular Formula | C11H15NO3 |
| Molecular Weight | 209.2417 |
| SMILES | CCCC1C(C(C)=O)=C(C)NC=1C(O)=O |
| Synonyms | 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid,
1181894-93-8,
AC1Q2USI,
CTK6D4553,
ZINC36379485,
AKOS026728762,
MCULE-4005129960,
NE29324,
EN300-45428,
AB01006910-01,
Z594271996,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.245g/mol |
| Monoisotopic Mass | 209.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number