SHF
Summary
Name: | LAEVULINIC ACID |
Synonyms: | LEVULINIC ACID |
Formula: | C5 H8 O3 |
Formal charge: | 0 |
Formula weight: | 116.115 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-oxopentanoic acid |
OpenEye OEToolkits | 1.7.6 | 4-oxidanylidenepentanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C)CCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) |
InChIKey | InChI | 1.03 | JOOXCMJARBKPKM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)CCC(O)=O |
SMILES | CACTVS | 3.370 | CC(=O)CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)CCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)CCC(=O)O |