4-methoxy-3H-1,2-benzodioxole
PubChem CID: 5319407
Connections displayed (default: 10).
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| Topological Polar Surface Area | 27.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-3H-1,2-benzodioxole |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C8H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SMUNJBNGTHEKIO-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.297 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.042 |
| Compound Name | 4-methoxy-3H-1,2-benzodioxole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.053360163636363 |
| Inchi | InChI=1S/C8H8O3/c1-9-7-3-2-4-8-6(7)5-10-11-8/h2-4H,5H2,1H3 |
| Smiles | COC1=CC=CC2=C1COO2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cornus Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients