TYF
Summary
| Name: | (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
| Formula: | C9 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 182.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-3-(4-hydroxyphenyl)-2-oxidanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)Cc1ccc(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | JVGVDSSUAVXRDY-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](Cc1ccc(O)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](Cc1ccc(O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C[C@@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CC(C(=O)O)O)O |
