Cas no 480439-34-7 (2' 4'-DIETHOXY-3'-METHYLACETOPHENONE 9&)
480439-34-7 structure
Product Name:2' 4'-DIETHOXY-3'-METHYLACETOPHENONE 9&
CAS No:480439-34-7
MF:C13H18O3
MW:222.280224323273
CID:931733
PubChem ID:16217283
Update Time:2025-04-19
2' 4'-DIETHOXY-3'-METHYLACETOPHENONE 9& Chemical and Physical Properties
Names and Identifiers
-
- 2' 4'-DIETHOXY-3'-METHYLACETOPHENONE 9&
- 1-(2,4-Diethoxy-3-methylphenyl)ethanone
- DB-249774
- 1-(2,4-Diethoxy-3-methylphenyl)ethan-1-one
- DTXSID80584318
- 480439-34-7
- 2',4'-Diethoxy-3'-methylacetophenone
-
- Inchi： 1S/C13H18O3/c1-5-15-12-8-7-11(10(4)14)13(9(12)3)16-6-2/h7-8H,5-6H2,1-4H3
- InChI Key： ZGPPGJDLCWXVHS-UHFFFAOYSA-N
- SMILES： O(CC)C1C(C(C)=O)=CC=C(C=1C)OCC
Computed Properties
- Exact Mass: 222.125594432g/mol
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.044?g/mL?at 25?°C(lit.)
- Boiling Point: 283-284?°C(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.5250(lit.)
2' 4'-DIETHOXY-3'-METHYLACETOPHENONE 9& Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
480439-34-7 (2' 4'-DIETHOXY-3'-METHYLACETOPHENONE 9&) Related Products
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- 2040-04-2(2',6'-Dimethoxyacetophenone)
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