| CAS Number | 1292835-62-1 |
| Catalog Number | AG01C61G(AGN-PC-0HEX4Z) |
| Chemical Name | 4-(methoxymethyl)-1-methyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-(methoxymethyl)-1-methylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C8H11NO3/c1-9-4-6(5-12-2)3-7(9)8(10)11/h3-4H,5H2,1-2H3,(H,10,11) |
| InChI Key | NRGGCFTUKSHJPX-UHFFFAOYSA-N |
| MDL Number | MFCD28639945 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.1778 |
| SMILES | COCC1=CN(C)C(C(O)=O)=C1 |
| Synonyms | 1292835-62-1,
4-(methoxymethyl)-1-methyl-1H-pyrrole-2-carboxylic acid,
4-(methoxymethyl)-1-methylpyrrole-2-carboxylic acid,
SCHEMBL1666475,
AKOS023797966,
ZINC108367675,
F2135-1184,
4-(methoxymethyl)-1-methylpyrrole-2-carboxylicacid,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.18g/mol |
| Monoisotopic Mass | 169.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number