| CAS Number | 1007386-48-2 |
| Catalog Number | AG01BCDZ |
| Chemical Name | 4-Methyl-1H,4H-pyrrolo[3,2-b]pyrrole-2-carboxylic acid |
| IUPAC Name | 1-methyl-4H-pyrrolo[3,2-b]pyrrole-5-carboxylic acid |
| InChI | InChI=1S/C8H8N2O2/c1-10-3-2-5-7(10)4-6(9-5)8(11)12/h2-4,9H,1H3,(H,11,12) |
| InChI Key | MKNMFJGDGQHMER-UHFFFAOYSA-N |
| MDL Number | MFCD16810526 |
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.1613 |
| SMILES | CN1C2=C(NC(C(O)=O)=C2)C=C1 |
| Synonyms | 1007386-48-2,
4-methyl-1H,4H-pyrrolo[3,2-b]pyrrole-2-carboxylic acid,
SCHEMBL1244908,
MKNMFJGDGQHMER-UHFFFAOYSA-N,
4-methyl-1,4-dihydropyrrolo[3,2-b]pyrrole-2-carboxylic acid,
ZINC67799917,
AKOS022714093,
4-Methyl-1,4-dihydro-pyrrolo[3,2-b]-pyrrole-2-carboxylic acid,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.164g/mol |
| Monoisotopic Mass | 164.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number