| CAS Number | 1190321-11-9 |
| Catalog Number | AG000HZ7(AGN-PC-0WCY8K) |
| Chemical Name | 3-formyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
| IUPAC Name | 3-formyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid |
| InChI | InChI=1S/C9H6N2O3/c12-4-5-3-11-8-7(5)6(9(13)14)1-2-10-8/h1-4H,(H,10,11)(H,13,14) |
| InChI Key | VGKXTCSGDWIWKB-UHFFFAOYSA-N |
| MDL Number | MFCD12963468 |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.1555 |
| SMILES | OC(C1=C2C(NC=C2C=O)=NC=C1)=O |
| Synonyms | 1190321-11-9,
3-formyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid,
3-FORMYL-7-AZAINDOLE-4-CARBOXYLIC ACID,
ZINC44713356,
W-1743,
1H-Pyrrolo[2,3-b]pyridine-4-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 | 0.3 |
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Certificate of Analysis
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