1-Deuterio-2,3-dimethoxybenzene
PubChem CID: 10464398
Connections displayed (default: 10).
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| Topological Polar Surface Area | 18.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 81.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-deuterio-2,3-dimethoxybenzene |
| Prediction Hob | 0.0 |
| Xlogp | 1.6 |
| Molecular Formula | C8H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ABDKAPXRBAPSQN-UICOGKGYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.167 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.594 |
| Compound Name | 1-Deuterio-2,3-dimethoxybenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.074 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 139.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0228670310235994 |
| Inchi | InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3/i5D |
| Smiles | [2H]C1=C(C(=CC=C1)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Petasites Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients