4LV
Summary
| Name: | (2E)-2-methyl-3-phenylprop-2-enoic acid |
| Formula: | C10 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 162.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-methyl-3-phenylprop-2-enoic acid |
| OpenEye OEToolkits | 1.9.2 | (E)-2-methyl-3-phenyl-prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C/C(C(O)=O)=C\c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+ |
| InChIKey | InChI | 1.03 | XNCRUNXWPDJHGV-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C(=C/c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C/C(=C\c1ccccc1)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=Cc1ccccc1)C(=O)O |
