| CAS Number | 2089213-09-0 |
| Catalog Number | AG01BTQX |
| Chemical Name | methyl 5-(hydroxymethyl)-2-methyl-1H-pyrrole-3-carboxylate |
| IUPAC Name | methyl 5-(hydroxymethyl)-2-methyl-1H-pyrrole-3-carboxylate |
| InChI | InChI=1S/C8H11NO3/c1-5-7(8(11)12-2)3-6(4-10)9-5/h3,9-10H,4H2,1-2H3 |
| InChI Key | RGFOULXMIZPILO-UHFFFAOYSA-N |
| MDL Number | MFCD30730720 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.1778 |
| SMILES | COC(C1=C(C)NC(CO)=C1)=O |
| Synonyms | methyl 5-(hydroxymethyl)-2-methyl-1H-pyrrole-3-carboxylate,
2089213-09-0,
AKOS034035459,
Z2798559740,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.18g/mol |
| Monoisotopic Mass | 169.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number