| Stereochemistry | ACHIRAL |
| Molecular Formula | C6H8O7.CN2.Ca |
| Molecular Weight | 272.226 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].[N--]C#N.OC(=O)CC(O)(CC(O)=O)C(O)=O
InChI
InChIKey=TXCUCVKSFYQLPY-UHFFFAOYSA-N
InChI=1S/C6H8O7.CN2.Ca/c7-3(8)1-6(13,5(11)12)2-4(9)10;2-1-3;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;-2;+2
| Molecular Formula | C6H7O7 |
| Molecular Weight | 191.1156 |
| Charge | -1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | CHN2 |
| Molecular Weight | 41.032 |
| Charge | -1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Ca |
| Molecular Weight | 40.078 |
| Charge | 2 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |