| CAS Number | 896134-06-8 |
| Catalog Number | AG01CBV6(AGN-PC-0WP0AI) |
| Chemical Name | 2,3-Dihydro-5,6-dimethoxy-2-[(1-oxido-4-pyridinyl)methylene]-1H-inden-1-one |
| IUPAC Name | (2Z)-5,6-dimethoxy-2-[(1-oxidopyridin-1-ium-4-yl)methylidene]-3H-inden-1-one |
| InChI | InChI=1S/C17H15NO4/c1-21-15-9-12-8-13(7-11-3-5-18(20)6-4-11)17(19)14(12)10-16(15)22-2/h3-7,9-10H,8H2,1-2H3/b13-7- |
| InChI Key | AKKASSPRDCJTET-QPEQYQDCSA-N |
| Molecular Formula | C17H15NO4 |
| Molecular Weight | 297.3053 |
| SMILES | COc1cc2CC(=Cc3cc[n+]([O-])cc3)C(=O)c2cc1OC |
| Synonyms | 896134-06-8,
2,3-Dihydro-5,6-dimethoxy-2-[(1-oxido-4-pyridinyl)methylene]-1H-inden-1-one,
AKKASSPRDCJTET-QPEQYQDCSA-N,
CID11716337,
(2Z)-5,6-dimethoxy-2-[(1-oxidopyridin-4-yl)methylidene]-3H-inden-1-one,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 297.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.31g/mol |
| Monoisotopic Mass | 297.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number