| CAS Number | 1822620-12-1 |
| Catalog Number | AG01C034 |
| Chemical Name | methyl 7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carboxylate |
| IUPAC Name | methyl 7-oxo-5,6-dihydropyrrolo[3,4-b]pyridine-3-carboxylate |
| InChI | InChI=1S/C9H8N2O3/c1-14-9(13)6-2-5-3-11-8(12)7(5)10-4-6/h2,4H,3H2,1H3,(H,11,12) |
| InChI Key | NDZQERQVDIUZCU-UHFFFAOYSA-N |
| MDL Number | MFCD24849934 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | COC(C1=CC2=C(C(NC2)=O)N=C1)=O |
| Synonyms | 1822620-12-1,
methyl 7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridine-3-carboxylate,
AKOS033982886,
ZINC238416936,
Z2692093685,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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