cis-3-Coumaric acid
PubChem CID: 5316112
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | cis-3-coumaric acid, (2Z)-3-(3-hydroxyphenyl)acrylic acid, (2Z)-3-(3-hydroxyphenyl)prop-2-enoic acid, 25429-38-3, cis-m-Coumaric acid, z-3-hydroxycinnamic acid, (Z)-3-(3-hydroxyphenyl)prop-2-enoic acid, 82735-70-4, SCHEMBL10504122, CHEBI:47926, Cinnamic acid, 3-hydroxy-, cis-, DTXSID901270116, 3-(Hydroxyphenyl)-2-propenoic acid, 2-Propenoic acid, 3-(hydroxyphenyl)-, Q27120851, DBA3A1BA-0C36-4544-8E89-DFD7D31558A5 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-(3-hydroxyphenyl)prop-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C9H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKSDGJDHHZEWEP-PLNGDYQASA-N |
| Fcsp3 | 0.0 |
| Logs | -1.082 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.213 |
| Compound Name | cis-3-Coumaric acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 164.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2172423999999995 |
| Inchi | InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4- |
| Smiles | C1=CC(=CC(=C1)O)/C=C\C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limonia (Plant) Rel Props:Source_db:cmaup_ingredients