(E)-3-(3-hydroxyphenoxy)prop-2-enal
PubChem CID: 101410203
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(3-hydroxyphenoxy)prop-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LTURIPNWWNHWAO-QHHAFSJGSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.094 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.339 |
| Compound Name | (E)-3-(3-hydroxyphenoxy)prop-2-enal |
| 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 | -1.6219919999999997 |
| Inchi | InChI=1S/C9H8O3/c10-5-2-6-12-9-4-1-3-8(11)7-9/h1-7,11H/b6-2+ |
| 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 Cassytha Filiformis (Plant) Rel Props:Source_db:cmaup_ingredients