| CAS Number | 1041644-48-7 |
| Catalog Number | AG00J2HF(AGN-PC-0WB5Y8) |
| Chemical Name | 1-Isopropyl-1h-pyrrole-2-carboxylic acid |
| IUPAC Name | 1-propan-2-ylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C8H11NO2/c1-6(2)9-5-3-4-7(9)8(10)11/h3-6H,1-2H3,(H,10,11) |
| InChI Key | UBNKBSYOGPUMHA-UHFFFAOYSA-N |
| MDL Number | MFCD08704773 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | N1(C(C)C)C=CC=C1C(O)=O |
| Synonyms | 1-isopropyl-1H-pyrrole-2-carboxylic acid,
1041644-48-7,
1-(propan-2-yl)-1H-pyrrole-2-carboxylic acid,
AC1Q1Q1Q,
SCHEMBL1664507,
CTK7I9701,
MFCD08704773,
ZINC35431506,
AKOS009518601,
AM90510,
MCULE-7373248661,
1-ISOPROPYL-PYRROLE-2-CARBOXYLIC ACID,
EN300-43703,
Y-4677,
1H-Pyrrole-2-carboxylic acid, 1-(1-methylethyl)-,
Z1250132330,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number