HHH
Summary
Name: | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid |
Formula: | C8 H8 O4 |
Formal charge: | 0 |
Formula weight: | 168.147 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid |
OpenEye OEToolkits | 1.5.0 | (2S)-2-hydroxy-2-(4-hydroxyphenyl)ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(O)c1ccc(O)cc1 |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](C(O)=O)c1ccc(O)cc1 |
SMILES | CACTVS | 3.341 | O[CH](C(O)=O)c1ccc(O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@@H](C(=O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(C(=O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1 |
InChIKey | InChI | 1.03 | YHXHKYRQLYQUIH-ZETCQYMHSA-N |