2,3-Dimethoxy-4,5-methylenedioxycinnamaldehyde
PubChem CID: 92475849
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| Compound Synonyms | 2,3-dimethoxy-4,5-methylenedioxycinnamaldehyde, 3-(2,3-Dimethoxy-4,5-methylenedioxyphenyl)-2-propen-1-al |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Description | Minor constituent of Anethum sowa (Indian dill) oil. Dillapional is found in dill and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enal |
| Nih Violation | True |
| Class | Benzodioxoles |
| Xlogp | 1.6 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C12H12O5 |
| Inchi Key | UQBPCDWQJZVCPU-ARJAWSKDSA-N |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | 2,3-Dimethoxy-4,5-methylenedioxycinnamaldehyde, 3-(2,3-Dimethoxy-4,5-methylenedioxyphenyl)-2-propen-1-al |
| Compound Name | 2,3-Dimethoxy-4,5-methylenedioxycinnamaldehyde |
| Kingdom | Organic compounds |
| Exact Mass | 236.068 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 236.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 236.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C12H12O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-6H,7H2,1-2H3/b4-3- |
| Smiles | COC1=C(C2=C(C=C1/C=C\C=O)OCO2)OC |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Benzodioxoles |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all