2,4,5-Trimethoxycinnamic acid
PubChem CID: 688363
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| Compound Synonyms | 2,4,5-Trimethoxycinnamic acid, 24160-53-0, 3-(2,4,5-Trimethoxyphenyl)acrylic Acid, (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid, (2E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid, 73490-49-0, Cinnamic acid, 2,4,5-trimethoxy-, NSC 89300, (E)-3-(2,4,5-trimethoxyphenyl)acrylic acid, 2-Propenoic acid, 3-(2,4,5-trimethoxyphenyl)-, NSC-89300, 3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid, NSC89300, MFCD00004377, 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid, SCHEMBL715804, 5T2L43DHK6, CHEMBL3931155, AKOS000263596, FT70951, AS-63656, (E)-3-(2,4,5-trimethoxyphenyl)acrylicacid, CS-0150481, CS-0356578, T1393, EN300-11215, D78251, EN300-832911, 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid #, Z2311574278, 2,4,5-Trimethoxycinnamic acid, predominantly trans, 98% |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C12H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XCEGAEUDHJEYRY-SNAWJCMRSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.41 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.964 |
| Compound Name | 2,4,5-Trimethoxycinnamic acid |
| 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 | -3.2832086705882353 |
| Inchi | InChI=1S/C12H14O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3,(H,13,14)/b5-4+ |
| Smiles | COC1=CC(=C(C=C1/C=C/C(=O)O)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients