(Z)-2-(4-hydroxyphenyl)but-2-enoic acid
PubChem CID: 18544346
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| Compound Synonyms | SCHEMBL6339611 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 212.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2-(4-hydroxyphenyl)but-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MWYCYCCSCOPEPF-MBXJOHMKSA-N |
| Fcsp3 | 0.1 |
| Logs | -1.037 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.849 |
| Compound Name | (Z)-2-(4-hydroxyphenyl)but-2-enoic 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 | -2.338748261538461 |
| Inchi | InChI=1S/C10H10O3/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h2-6,11H,1H3,(H,12,13)/b9-2- |
| Smiles | C/C=C(/C1=CC=C(C=C1)O)\C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients