ACN
Summary
Name: | ACETONE |
Formula: | C3 H6 O |
Formal charge: | 0 |
Formula weight: | 58.079 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 11.02 | propan-2-one |
OpenEye OEToolkits | 1.6.1 | propan-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(C)C |
SMILES_CANONICAL | CACTVS | 3.352 | CC(C)=O |
SMILES | CACTVS | 3.352 | CC(C)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C3H6O/c1-3(2)4/h1-2H3 |
InChIKey | InChI | 1.03 | CSCPPACGZOOCGX-UHFFFAOYSA-N |