4Y8
Summary
Name: | 1-hydroxypropan-2-one |
Formula: | C3 H6 O2 |
Formal charge: | 0 |
Formula weight: | 74.079 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 1-hydroxypropan-2-one |
OpenEye OEToolkits | 1.9.2 | 1-oxidanylpropan-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C)CO |
InChI | InChI | 1.03 | InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3 |
InChIKey | InChI | 1.03 | XLSMFKSTNGKWQX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)CO |
SMILES | CACTVS | 3.385 | CC(=O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)CO |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)CO |