3-(2-Methoxyphenyl)acrylaldehyde
PubChem CID: 15173
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| Compound Synonyms | 3-(2-Methoxyphenyl)acrylaldehyde, 3-(2-methoxyphenyl)prop-2-enal, o-Methoxy cinnamaldehyde, 2-Methoxycinnamaldehyde, predominantly trans, (E)-O-methoxycinnamaldehyde, DTXSID2025551, SCHEMBL43264, KKVZAVRSVHUSPL-UHFFFAOYSA-N, KCA12524, AKOS028110010, NS00095985, (E)-2-Methoxycinnamaldehyde, (E)-3-(2-Methoxyphenyl)acrylaldehyde |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-methoxyphenyl)prop-2-enal |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C10H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKVZAVRSVHUSPL-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -4.969 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.323 |
| Compound Name | 3-(2-Methoxyphenyl)acrylaldehyde |
| 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 | -2.4035656000000003 |
| Inchi | InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3 |
| Smiles | COC1=CC=CC=C1C=CC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients