Basic information
- CAS
1189725-66-3- Standard SMILES
[2H]C([2H])([2H])Oc1cc(C)cc(C)c1C- InChIKey
AWONIZVBKXHWJP-GKOSEXJESA-N- Molecular formula
- C10H14O
- Average molar mass
- 153.24 g/mol
- Monoisotopic mass
- 153.1232953
Names & identifiers
- Preferred name
- 1-Methoxy-2,3,5-trimethylbenzene-d3
- IUPAC
- 1,2,5-trimethyl-3-(trideuteriomethoxy)benzene
- English name
- 1-Methoxy-2,3,5-trimethylbenzene-d3
- Molecular formula
- C10H11D3O
- Molecular weight
- 153.24
Names & synonyms
1-Methoxy-2,3,5-trimethylbenzene-d31189725-66-31,2,5-trimethyl-3-(trideuteriomethoxy)benzene1,2,5-Trimethyl-3-[(~2~H_3_)methyloxy]benzeneDTXSID80662084AKOS0158888332,3,5-TriMethylanisole-d3
Database identifiers
- CAS
1189725-66-3- PubChem CID
- 45039733
- DTXSID
DTXSID80662084
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 220.929 · 220.929±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.926 · 0.926±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform, Dichloromethane, Tetrahydrofuran
- form
- Oil
- color
- Colourless
Chemistry & industry
Applications
Uses1-Methoxy-2,3,5-trimethylbenzene-d3 (cas# 1189725-66-3) is a compound useful in organic synthesis.
Suppliers4 total
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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