4-Methoxycinnamic acid
PubChem CID: 13245
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-(4-methoxyphenyl)prop-2-enoic acid, 3-(4-Methoxy-phenyl)-acrylic acid, DTXSID4048147, (E)-4-METHOXYCINNAMIC ACID, p-methoxy-cinnamic acid, 4-Methoxy cinnamic acid, UNII-6G4ML8401A, CHEBI:48541, NSC 5303, EINECS 212-594-0, AI3-23399, p-methoxy cinnamic acid, TRANS-3-(4-METHOXYPHENYL)-2-PROPENOIC ACID, DTXCID4028121, AFDXODALSZRGIH-UHFFFAOYSA-N, 3-(4-Methoxyphenyl)-acrylic acid, 3-(4-methoxyphenyl)-2-propenic acid, AKOS004906620, NCGC00159448-05, DB-056675, Q27121258, trans-4-Methoxycinnamic acid, p-Methoxycinnamic acid, 3-(4-Methoxyphenyl)-2-propenoic acid |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-methoxyphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFDXODALSZRGIH-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.42 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.493 |
| Compound Name | 4-Methoxycinnamic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.776697861538462 |
| Inchi | InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12) |
| Smiles | COC1=CC=C(C=C1)C=CC(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all