Cas no 76569-40-9 (PHLOROBUTYROPHENONE TRIMETHYL ETHER)
76569-40-9 structure
Product Name:PHLOROBUTYROPHENONE TRIMETHYL ETHER
CAS No:76569-40-9
MF:C13H18O4
MW:238.279624462128
CID:1785645
PubChem ID:12626042
Update Time:2025-04-21
PHLOROBUTYROPHENONE TRIMETHYL ETHER Chemical and Physical Properties
Names and Identifiers
-
- PHLOROBUTYROPHENONE TRIMETHYL ETHER
- 1-(2,4,6-trimethoxyphenyl)butan-1-one
- 76569-40-9
- DTXSID60504812
- 1-(2,4,6-trimethoxyphenyl) butan-1-one
- SCHEMBL4727216
- 1-(2,4,6-Trimethoxy-phenyl)-butan-1-one
-
- Inchi： 1S/C13H18O4/c1-5-6-10(14)13-11(16-3)7-9(15-2)8-12(13)17-4/h7-8H,5-6H2,1-4H3
- InChI Key： ZHULVYHYRRXJIA-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=C(C=1C(CCC)=O)OC)OC
Computed Properties
- Exact Mass: 238.12050905g/mol
- Monoisotopic Mass: 238.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 228
- 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
- XLogP3: 2.3
- Topological Polar Surface Area: 44.8?2
PHLOROBUTYROPHENONE TRIMETHYL ETHER Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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