PPI
Summary
Name: | PROPANOIC ACID |
Formula: | C3 H6 O2 |
Formal charge: | 0 |
Formula weight: | 74.079 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | propanoic acid |
OpenEye OEToolkits | 1.5.0 | propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCC(O)=O |
SMILES | CACTVS | 3.341 | CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
InChIKey | InChI | 1.03 | XBDQKXXYIPTUBI-UHFFFAOYSA-N |