CBG
Summary
Name: | PROPANAL |
Formula: | C3 H6 O |
Formal charge: | 0 |
Formula weight: | 58.079 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | propanal |
OpenEye OEToolkits | 1.5.0 | propanal |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCC=O |
SMILES | CACTVS | 3.341 | CCC=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC=O |
InChI | InChI | 1.03 | InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3 |
InChIKey | InChI | 1.03 | NBBJYMSMWIIQGU-UHFFFAOYSA-N |