| CAS Number | 224295-73-2 |
| Catalog Number | AG00BTYL(AGN-PC-07ABL9) |
| Chemical Name | 5-Formyl-1-methyl-1h-pyrrole-2-carboxylic acid |
| IUPAC Name | 5-formyl-1-methylpyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H7NO3/c1-8-5(4-9)2-3-6(8)7(10)11/h2-4H,1H3,(H,10,11) |
| InChI Key | IRZBYIDEBJVXLK-UHFFFAOYSA-N |
| MDL Number | MFCD12402319 |
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.1354 |
| SMILES | O=C(C1=CC=C(C=O)N1C)O |
| Synonyms | 5-FORMYL-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID,
224295-73-2,
SCHEMBL3494614,
CTK1A0240,
DTXSID70665069,
ZINC39057627,
FT-0735271,
1H-Pyrrole-2-carboxylicacid, 5-formyl-1-methyl-,
1H-Pyrrole-2-carboxylic acid, 5-formyl-1-methyl- (9CI),
1H-Pyrrole-2-carboxylicacid,5-formyl-1-methyl-,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.137g/mol |
| Monoisotopic Mass | 153.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number