F9V
Summary
| Name: | (2S)-2-phenylbutanedioic acid |
| Formula: | C10 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 194.184 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-phenylbutanedioic acid |
| OpenEye OEToolkits | 1.7.6 | 2-phenylbutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(c1ccccc1)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | LVFFZQQWIZURIO-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H](C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH](C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(CC(=O)O)C(=O)O |
