| CAS Number | 924296-17-3 |
| Catalog Number | AG00GU34(AGN-PC-0VZIMC) |
| Chemical Name | 9H-INDENO[1,2-B]PYRAZINE-2,3-DICARBONITRILE, 9-[(2-PROPEN-1-YLOXY)IMINO]- |
| IUPAC Name | (9E)-9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile |
| InChI | InChI=1S/C16H9N5O/c1-2-7-22-21-15-11-6-4-3-5-10(11)14-16(15)20-13(9-18)12(8-17)19-14/h2-6H,1,7H2/b21-15+ |
| InChI Key | XLOXSIKLUAMDGU-RCCKNPSSSA-N |
| MDL Number | MFCD11977747 |
| Molecular Formula | C16H9N5O |
| Molecular Weight | 287.2756 |
| SMILES | C(C=C)ON=C1C=2C=CC=CC2C2=NC(=C(N=C21)C#N)C#N |
| Synonyms | DUBs-IN-3,
924296-17-3,
9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-[(2-propen-1-yloxy)imino]-,
AKOS030527004,
CS-2847,
HY-50737,
|
| Complexity | 568 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 287.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.282g/mol |
| Monoisotopic Mass | 287.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number