ACY
Summary
Name: | ACETIC ACID |
Formula: | C2 H4 O2 |
Formal charge: | 0 |
Formula weight: | 60.052 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 11.02 | acetic acid |
OpenEye OEToolkits | 1.6.1 | ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)C |
SMILES_CANONICAL | CACTVS | 3.352 | CC(O)=O |
SMILES | CACTVS | 3.352 | CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) |
InChIKey | InChI | 1.03 | QTBSBXVTEAMEQO-UHFFFAOYSA-N |