3LF
Summary
| Name: | 3-(3,4,5-trimethoxyphenyl)propanoic acid |
| Formula: | C12 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 240.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(3,4,5-trimethoxyphenyl)propanoic acid |
| OpenEye OEToolkits | 1.7.6 | 3-(3,4,5-trimethoxyphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCc1cc(OC)c(OC)c(OC)c1 |
| InChI | InChI | 1.03 | InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14) |
| InChIKey | InChI | 1.03 | ZCYXGVJUZBKJAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCC(O)=O)cc(OC)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc(CCC(O)=O)cc(OC)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1OC)OC)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1OC)OC)CCC(=O)O |
