| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H11N3.C4H2O4 |
| Molecular Weight | 311.2921 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | -2 |
SHOW SMILES / InChI
SMILES
[O-]C(=O)\C=C\C([O-])=O.CC1=C(CC#N)N=C(N1)C2=CC=CC=C2
InChI
InChIKey=BACLFYJGAMBEIX-WLHGVMLRSA-L
InChI=1S/C12H11N3.C4H4O4/c1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10;5-3(6)1-2-4(7)8/h2-6H,7H2,1H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C12H11N3 |
| Molecular Weight | 197.2358 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
|
|
PARENT -> SALT/SOLVATE | |||
|
|
PARENT -> SALT/SOLVATE |
Showing 1 to 2 of 2 entries