A1CE9
Summary
| Name: | (2R)-2-phenylcyclobutane-1,1-dicarboxylic acid |
| Formula: | C12 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 220.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-2-phenylcyclobutane-1,1-dicarboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-phenylcyclobutane-1,1-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)C1(CCC1c1ccccc1)C(O)=O |
| InChI | InChI | 1.06 | InChI=1S/C12H12O4/c13-10(14)12(11(15)16)7-6-9(12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | XUUXKHXLMLVJJP-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CC[C@@H]1c2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CC[CH]1c2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[C@H]2CCC2(C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C2CCC2(C(=O)O)C(=O)O |
