YW6
Summary
Name: | 2-(furan-3-yl)ethanoic acid |
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 | 2-(furan-3-yl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C6H6O3/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8) |
InChIKey | InChI | 1.06 | UUUYAVXPERPSAI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1cocc1 |
SMILES | CACTVS | 3.385 | OC(=O)Cc1cocc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cocc1CC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cocc1CC(=O)O |