Basic information
- CAS
834-94-6- Standard SMILES
CCC(=O)c1c(OC)cc(OC)cc1OC- InChIKey
QLYHTUKAVJKTQL-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- 1-(2,4,6-Trimethoxyphenyl)propan-1-one
- IUPAC
- 1-(2,4,6-trimethoxyphenyl)propan-1-one
- English name
- 2',4',6'-trimethoxypropiophenone
- Molecular formula
- C12H16O4
- Molecular weight
- 224.25304
Names & synonyms
1-(2,4,6-trimethoxyphenyl)propan-1-one834-94-62',4',6'-Trimethoxypropiophenone1-(2,4,6-trimethoxyphenyl)-1-propanoneEINECS 212-638-9SCHEMBL8546247DTXSID20232321QLYHTUKAVJKTQL-UHFFFAOYSA-NNS000382561-Propanone,1-(2,4,6-trimethoxyphenyl)-
Database identifiers
- CAS
834-94-6- PubChem CID
- 70037
- DTXSID
DTXSID20232321- EC Number
- 212-638-9
- Nikkaji
- J195.105J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 84.5 · 84.5–85°C
Chemistry & industry
Preparation methods
PreparationObtained by reaction of propionic acid with phloropropiophenone trimethyl ether in the presence of PPA as a condensing agent.
Suppliers3 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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