| CAS Number | 1375961-42-4 |
| Catalog Number | AG00J28D(AGN-PC-0WB5K1) |
| Chemical Name | 4-cyano-1-methyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-cyano-1-methylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H6N2O2/c1-9-4-5(3-8)2-6(9)7(10)11/h2,4H,1H3,(H,10,11) |
| InChI Key | LLTHJWLVXXYIQH-UHFFFAOYSA-N |
| MDL Number | MFCD20660169 |
| Molecular Formula | C7H6N2O2 |
| Molecular Weight | 150.1347 |
| SMILES | C1(C(O)=O)=CC(=CN1C)C#N |
| Synonyms | 4-cyano-1-methyl-1H-pyrrole-2-carboxylic acid,
1375961-42-4,
SCHEMBL20764479,
BBL026542,
MFCD20660169,
STL294802,
ZINC72296309,
AKOS022061012,
MCULE-7410738527,
RP21345,
Y-8425,
Z1359429565,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.137g/mol |
| Monoisotopic Mass | 150.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number