2-Propanone, 1-(2,3-dimethoxyphenyl)-
Basic information
- CAS
3081-67-2- Standard SMILES
COc1cccc(CC(C)=O)c1OC- InChIKey
SYYURZPSSGNDQQ-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2-Propanone, 1-(2,3-dimethoxyphenyl)-
- IUPAC
- 1-(2,3-dimethoxyphenyl)propan-2-one
- English name
- 1-(2,3-Dimethoxyphenyl)acetone
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3081-67-21-(2,3-Dimethoxyphenyl)-2-propanoneBRN 19566242-Propanone, 1-(2,3-dimethoxyphenyl)-DTXSID40184818RefChem:266023DTXCID801073091-(2,3-dimethoxyphenyl)propan-2-one(2,3-dimethoxyphenyl)acetoneSCHEMBL2586902AKOS006273341FD67120
Show more names
1-(2,3-Dimethoxyphenyl)acetone
1-(2,3-Dimethoxyphenyl)acetone, AldrichCPREN300-1869333
Database identifiers
- CAS
3081-67-2- PubChem CID
- 165071
- DTXSID
DTXSID40184818- Nikkaji
- J69.878D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 114 · 114-116 °C(Press: 0.5 Torr)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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