A1EOS
Summary
| Name: | (2~{R})-2-phenylcyclopropane-1,1-dicarboxylic acid |
| Formula: | C11 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 206.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-phenylcyclopropane-1,1-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H10O4/c12-9(13)11(10(14)15)6-8(11)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | TYTIFABDVSLOJD-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(C[C@@H]1c2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C1(C[CH]1c2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2CC2(C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CC2(C(=O)O)C(=O)O |
