KRN
Summary
| Name: | (4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid |
| Formula: | C10 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 196.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid |
| OpenEye OEToolkits | 2.0.6 | (4~{R})-4-(2-hydroxyphenyl)-4-oxidanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)=O)CC(c1c(cccc1)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12O4/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,9,11-12H,5-6H2,(H,13,14)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | DHPGRNIALDCANN-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CCC(O)=O)c1ccccc1O |
| SMILES | CACTVS | 3.385 | O[CH](CCC(O)=O)c1ccccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)[C@@H](CCC(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(CCC(=O)O)O)O |
