3-(4-Methoxyphenyl)prop-2-enal
PubChem CID: 230995
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| Compound Synonyms | 3-(4-methoxyphenyl)prop-2-enal, 2-Propenal, 3-(4-methoxyphenyl)-, MFCD00017343, 4-methoxy cinnamaldehyde, (E)-para-methoxycinnamaldehyde, DTXSID60859692, AKOS028108636, SY045703, SY069434 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-methoxyphenyl)prop-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AXCXHFKZHDEKTP-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.354 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.03 |
| Compound Name | 3-(4-Methoxyphenyl)prop-2-enal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.1704656 |
| Inchi | InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3 |
| Smiles | COC1=CC=C(C=C1)C=CC=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients