MUC
Summary
| Name: | [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid |
| Synonyms: | muconolactone |
| Formula: | C6 H6 O4 |
| Formal charge: | 0 |
| Formula weight: | 142.109 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(2S)-5-oxo-2H-furan-2-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC1OC(=O)C=C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C[C@@H]1OC(=O)C=C1 |
| SMILES | CACTVS | 3.341 | OC(=O)C[CH]1OC(=O)C=C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CC(=O)O[C@H]1CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=CC(=O)OC1CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | HPEKPJGPWNSAAV-SCSAIBSYSA-N |
