KJ6
Summary
Name: | 6-methyl-4-oxidanyl-pyran-2-one |
Formula: | C6 H6 O3 |
Formal charge: | 0 |
Formula weight: | 126.11 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 6-methyl-4-oxidanyl-pyran-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3 |
InChIKey | InChI | 1.06 | NSYSSMYQPLSPOD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC(=CC(=O)O1)O |
SMILES | CACTVS | 3.385 | CC1=CC(=CC(=O)O1)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CC(=O)O1)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CC(=O)O1)O |