| CAS Number | 1190316-06-3 |
| Catalog Number | AG000P4U(AGN-PC-0WCY7Y) |
| Chemical Name | 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-formyl- |
| IUPAC Name | 3-formyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid |
| InChI | InChI=1S/C9H6N2O3/c12-4-6-3-10-7-1-5(9(13)14)2-11-8(6)7/h1-4,10H,(H,13,14) |
| InChI Key | ZDUDEJITPSMUBY-UHFFFAOYSA-N |
| MDL Number | MFCD12963071 |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.1555 |
| SMILES | C(=O)C1=CNC=2C1=NC=C(C2)C(=O)O |
| Synonyms | 1190316-06-3,
3-formyl-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid,
3-FORMYL-4-AZAINDOLE-6-CARBOXYLIC ACID,
ZINC44712945,
DB-061484,
FT-0766080,
W-1647,
1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, 3-formyl-,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.158g/mol |
| Monoisotopic Mass | 190.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
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