| CAS Number | 40611-74-3 |
| Catalog Number | AG00CMM3(AGN-PC-03U2IK) |
| Chemical Name | methyl 1-methylpyrrole-3-carboxylate |
| IUPAC Name | methyl 1-methylpyrrole-3-carboxylate |
| InChI | InChI=1S/C7H9NO2/c1-8-4-3-6(5-8)7(9)10-2/h3-5H,1-2H3 |
| InChI Key | UNIFRBWRVMAKDB-UHFFFAOYSA-N |
| MDL Number | MFCD19981621 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | O=C(C1=CN(C)C=C1)OC |
| Synonyms | 40611-74-3,
methyl 1-methyl-1H-pyrrole-3-carboxylate,
METHYL 1-METHYLPYRROLE-3-CARBOXYLATE,
1H-Pyrrole-3-carboxylic acid, 1-methyl-, methyl ester,
SCHEMBL1527228,
CTK1C9408,
DTXSID20627970,
UNIFRBWRVMAKDB-UHFFFAOYSA-N,
methyl 1-methyl-3-pyrrolecarboxylate,
MFCD19981621,
ZINC72206847,
FT-0753966,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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