MDD
Summary
Name: | MALONALDEHYDE |
Formula: | C3 H4 O2 |
Formal charge: | 0 |
Formula weight: | 72.063 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | propanedial |
OpenEye OEToolkits | 1.5.0 | propanedial |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CCC=O |
SMILES_CANONICAL | CACTVS | 3.341 | O=CCC=O |
SMILES | CACTVS | 3.341 | O=CCC=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C=O)C=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C=O)C=O |
InChI | InChI | 1.03 | InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2 |
InChIKey | InChI | 1.03 | WSMYVTOQOOLQHP-UHFFFAOYSA-N |