| CAS Number | 33207-69-1 |
| Catalog Number | AG00D13O |
| Chemical Name | 1,3-dimethyl-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 1,3-dimethylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H9NO2/c1-5-3-4-8(2)6(5)7(9)10/h3-4H,1-2H3,(H,9,10) |
| InChI Key | SIZRIGSBZPWTOL-UHFFFAOYSA-N |
| MDL Number | MFCD09754198 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | CC1=C(C(O)=O)N(C)C=C1 |
| Synonyms | 1,3-dimethyl-1H-pyrrole-2-carboxylic acid,
33207-69-1,
1,3-dimethyl-pyrrole-2-carboxylic acid,
SCHEMBL866606,
MFCD09754198,
ZINC26441358,
AKOS000320167,
MCULE-9775208849,
NE31114,
Z1778350459,
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| Complexity | 147 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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