| CAS Number | 876294-73-4 |
| Catalog Number | AG00GVQP(AGN-PC-0167J5) |
| Chemical Name | 1-(2-Methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| IUPAC Name | 1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carboxylic acid |
| InChI | InChI=1S/C10H15NO3/c1-7-6-9(10(12)13)8(2)11(7)4-5-14-3/h6H,4-5H2,1-3H3,(H,12,13) |
| InChI Key | FWVAXENAXYFLMB-UHFFFAOYSA-N |
| MDL Number | MFCD09739087 |
| Molecular Formula | C10H15NO3 |
| Molecular Weight | 197.2310 |
| SMILES | C1(C(O)=O)C=C(N(CCOC)C=1C)C |
| Synonyms | 1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid,
876294-73-4,
CTK7B3274,
DTXSID40588579,
ALBB-006780,
ZX-AN006421,
ZX-CM001597,
1299AF,
MFCD09739087,
STK504112,
ZINC22221749,
AKOS000146317,
BBV-032868,
RTR-059277,
AJ-81344,
TR-059277,
Y-5425,
1-(2-methoxyethyl)-2,5-dimethylpyrrole-3-carboxylic acid,
C10H15NO3,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.234g/mol |
| Monoisotopic Mass | 197.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number