3,4,5-Trimethoxycinnamic acid, (Z)-
PubChem CID: 1715138
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| Compound Synonyms | ZXP5LUI6QJ, UNII-ZXP5LUI6QJ, 3,4,5-Trimethoxycinnamic acid, (Z)-, Cinnamic acid, 3,4,5-trimethoxy-, (Z)-, 20329-99-1, 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, (Z)-, (Z)-3,4,5-Trimethoxycinnamic acid, MEGxp0_001181, ACon1_001134, z-3,4,5-trimethoxycinnamic acid, NCGC00169644-01, BRD-K86952352-001-01-6, Q27895812 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 262.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C12H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTFVRYKNXDADBI-PLNGDYQASA-N |
| Fcsp3 | 0.25 |
| Logs | -3.916 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.907 |
| Compound Name | 3,4,5-Trimethoxycinnamic acid, (Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 238.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9493086705882354 |
| Inchi | InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4- |
| Smiles | COC1=CC(=CC(=C1OC)OC)/C=C\C(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Descurainia Sophia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lepidium Apetalum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients