LNN
Summary
| Name: | (6-hydroxybiphenyl-3-yl)acetic acid |
| Formula: | C14 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 228.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-hydroxybiphenyl-3-yl)acetic acid |
| OpenEye OEToolkits | 2.0.4 | 2-(4-oxidanyl-3-phenyl-phenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(CC(O)=O)cc1c2ccccc2)O |
| InChI | InChI | 1.03 | InChI=1S/C14H12O3/c15-13-7-6-10(9-14(16)17)8-12(13)11-4-2-1-3-5-11/h1-8,15H,9H2,(H,16,17) |
| InChIKey | InChI | 1.03 | QSTRNCHHKMCZKJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc(O)c(c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc(O)c(c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2cc(ccc2O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2cc(ccc2O)CC(=O)O |
