| CAS Number | 37670-50-1 |
| Catalog Number | AG01A00D(AGN-PC-0NJ8B0) |
| Chemical Name | ethyl 1,5-dimethyl-1H-pyrrole-2-carboxylate |
| IUPAC Name | ethyl 1,5-dimethylpyrrole-2-carboxylate |
| InChI | InChI=1S/C9H13NO2/c1-4-12-9(11)8-6-5-7(2)10(8)3/h5-6H,4H2,1-3H3 |
| InChI Key | DOXGCQCHUPPQBH-UHFFFAOYSA-N |
| MDL Number | MFCD11557239 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | CCOC(C1N(C)C(C)=CC=1)=O |
| Synonyms | ethyl 1,5-dimethyl-1H-pyrrole-2-carboxylate,
37670-50-1,
ethyl 5-methyl-1-methylpyrrole-2-carboxylate,
SCHEMBL8002346,
DOXGCQCHUPPQBH-UHFFFAOYSA-N,
ZINC26507001,
AKOS006241136,
MCULE-5350697017,
NE60099,
ethyl 1,5-dimethylpyrrole-2-carboxylate,
ethyl 1,5-dimethyl-pyrrole-2-carboxylate,
Z166414024,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number