VP3
Summary
Name: | 4-(4-fluorophenyl)-4-oxobutanoic acid |
Formula: | C10 H9 F O3 |
Formal charge: | 0 |
Formula weight: | 196.175 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-(4-fluorophenyl)-4-oxobutanoic acid |
OpenEye OEToolkits | 2.0.7 | 4-(4-fluorophenyl)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CCC(=O)O)c1ccc(F)cc1 |
InChI | InChI | 1.06 | InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14) |
InChIKey | InChI | 1.06 | WUYWHIAAQYQKPP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=O)c1ccc(F)cc1 |
SMILES | CACTVS | 3.385 | OC(=O)CCC(=O)c1ccc(F)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)CCC(=O)O)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)CCC(=O)O)F |