2,6-Dimethylanisole
PubChem CID: 66088
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| Compound Synonyms | 2,6-Dimethylanisole, 1004-66-6, 2-Methoxy-1,3-dimethylbenzene, Benzene, 2-methoxy-1,3-dimethyl-, 2-Methoxy-m-xylene, EINECS 213-723-3, MFCD00008380, AI3-21152, DTXSID40143248, NSC 62672, NSC-62672, 1,3-Dimethyl-2-methoxybenzene, NSC62672, 2,6-dimethyl anisole, Anisole, 2,6-dimethyl-, L233KZC6NH, 2,6-Dimethylanisole, 98%, SCHEMBL145464, DTXCID4065739, 2-Methoxy-1,3-dimethylbenzene #, AKOS015891256, AS-61141, SY048974, CS-0153695, D2383, NS00022982, EN300-123427, F20859, 213-723-3 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-1,3-dimethylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C9H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | GFNZJAUVJCGWLW-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.187 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.94 |
| Compound Name | 2,6-Dimethylanisole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9650028 |
| Inchi | InChI=1S/C9H12O/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-3H3 |
| Smiles | CC1=C(C(=CC=C1)C)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients