p-Methoxycinnamate
PubChem CID: 5285554
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | p-methoxycinnamate, 4-Methoxycinnamate, STK870153, AKOS001710552, (2E)-3-(4-methoxyphenyl)prop-2-enoate |
|---|---|
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H9O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFDXODALSZRGIH-QPJJXVBHSA-M |
| Fcsp3 | 0.1 |
| Logs | -2.964 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.63 |
| Compound Name | p-Methoxycinnamate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 177.055 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 177.055 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 177.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3185482615384614 |
| Inchi | InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/p-1/b7-4+ |
| Smiles | COC1=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 Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Agastache Rugosus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Sphaeranthus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients