1,4-dimethoxybenzene | SBID = 2564 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 18.5 | ||
| Ertl TPSA/Å2: | 18.46 | ||
| Hydrophilicity (PubChem XLogP): | 2.0 | ||
| Hydrophilicity (Cheng XLogP3): | 2.04 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 112.9 | ||
| Sum Formula: | C8H10O2 | ||
| M / g/mol: | 138.16 | ||
| Complexity: | 73.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags:
- Name: 1,4-dimethoxybenzene
- Preferred Abbreviation: 1,4-Dimethoxybenzene
- IUPAC Name: 1,4-dimethoxybenzene
- CAS:
- CID: 9016
- InChiKey: OHBQPCCCRFSCAX-UHFFFAOYSA-N
- InChi: InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
- CanoSmiles: COC1=CC=C(C=C1)OC
- IsoSmiles: COC1=CC=C(C=C1)OC
