4-Ethoxycinnamic Acid
PubChem CID: 704218
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| Compound Synonyms | 4-Ethoxycinnamic Acid, 2373-79-7, 3-(4-Ethoxyphenyl)acrylic acid, (2E)-3-(4-ethoxyphenyl)prop-2-enoic acid, 151539-70-7, (E)-3-(4-ethoxyphenyl)prop-2-enoic acid, MFCD00016848, p-Ethoxy cinnamic acid, (E)-3-(4-ethoxyphenyl)acrylic acid, 3-(4-ethoxyphenyl)prop-2-enoic acid, p-ethoxycinnamic acid, 4-Ethoxycinnamic acid, predominantly trans, 4-Ethoxyphenylacrylic acid, SCHEMBL691131, JS-183C, ALBB-006571, (E)-3-(4-ethoxyphenyl)acrylicacid, BBL037212, STK501190, 3-(4-Ethoxyphenyl)-2-propenoic acid, AKOS000263507, FE55745, EN300-11185, EN300-832890, 4-Ethoxycinnamic acid, predominantly trans, 97%, SR-01000597154, SR-01000597154-1, Z2315575657, 640-430-1 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-ethoxyphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C11H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZLOUWYGNATKKZ-VMPITWQZSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -3.292 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.253 |
| Compound Name | 4-Ethoxycinnamic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 192.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0063696571428573 |
| Inchi | InChI=1S/C11H12O3/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-5+ |
| Smiles | CCOC1=CC=C(C=C1)/C=C/C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients