| CAS Number | 1521795-25-4 |
| Catalog Number | AG01B89U |
| Chemical Name | 2-(Propan-2-yl)-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 2-propan-2-yl-1H-pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C8H11NO2/c1-5(2)7-6(8(10)11)3-4-9-7/h3-5,9H,1-2H3,(H,10,11) |
| InChI Key | UAAPHTTZDABWPH-UHFFFAOYSA-N |
| MDL Number | MFCD26598958 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | CC(C1=C(C(O)=O)C=CN1)C |
| Synonyms | 2-(propan-2-yl)-1H-pyrrole-3-carboxylic acid,
1521795-25-4,
ZINC77260694,
AKOS023252580,
Z2050688202,
|
| Complexity | 156 |
| 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 | 2 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number