3RN
Summary
| Name: | 2-(hydroxymethyl)cyclopent-2-en-1-one |
| Formula: | C6 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 112.127 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(hydroxymethyl)cyclopent-2-en-1-one |
| OpenEye OEToolkits | 1.7.2 | 2-(hydroxymethyl)cyclopent-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(=CCC1)CO |
| InChI | InChI | 1.03 | InChI=1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h2,7H,1,3-4H2 |
| InChIKey | InChI | 1.03 | DQTFESRTIZHRRO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OCC1=CCCC1=O |
| SMILES | CACTVS | 3.370 | OCC1=CCCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1CC(=O)C(=C1)CO |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1CC(=O)C(=C1)CO |
