791
Summary
| Name: | 2-PHENYLMALONIC ACID |
| Synonyms: | RU78191 |
| Formula: | C9 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 180.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | phenylpropanedioic acid |
| OpenEye OEToolkits | 1.5.0 | 2-phenylpropanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C(=O)O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)C(C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | WWYDYZMNFQIYPT-UHFFFAOYSA-N |
