1,2-Methylenedioxy-4-(1-propenyl)benzene
PubChem CID: 53384556
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| Compound Synonyms | 1,2-Methylenedioxy-4-(1-propenyl)benzene, I0183 |
|---|---|
| Topological Polar Surface Area | 36.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(Z)-prop-1-enyl]-1,3-benzodioxole, 5-[(E)-prop-1-enyl]-1,3-benzodioxole |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Is Pains | False |
| Molecular Formula | C20H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMNWUXPEDRCTHB-HVMWSGSDSA-N |
| Fcsp3 | 0.2 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 1,2-Methylenedioxy-4-(1-propenyl)benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 324.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.4 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.547831200000001 |
| Inchi | InChI=1S/2C10H10O2/c2*1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2*2-6H,7H2,1H3/b3-2+, 3-2- |
| Smiles | C/C=C/C1=CC2=C(C=C1)OCO2.C/C=C\C1=CC2=C(C=C1)OCO2 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Rupestris (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cananga Odorata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients