Cas no 203640-38-4 (Benzenebutanal,4-ethoxy-a-methyl-)
203640-38-4 structure
Product Name:Benzenebutanal,4-ethoxy-a-methyl-
CAS No:203640-38-4
MF:C13H18O2
MW:206.280824184418
CID:241251
PubChem ID:45094069
Update Time:2025-04-19
Benzenebutanal,4-ethoxy-a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanal,4-ethoxy-a-methyl-
- Benzenebutanal, 4-ethoxy-alpha-methyl- (9CI)
- 4-(4-ethoxyphenyl)-2-methylbutanal
- DTXSID60667239
- 203640-38-4
-
- Inchi： 1S/C13H18O2/c1-3-15-13-8-6-12(7-9-13)5-4-11(2)10-14/h6-11H,3-5H2,1-2H3
- InChI Key： SANFDYKKEKXTTR-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=CC=1)CCC(C=O)C
Computed Properties
- Exact Mass: 206.131
- Monoisotopic Mass: 206.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2.9
Benzenebutanal,4-ethoxy-a-methyl- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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5. 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
203640-38-4 (Benzenebutanal,4-ethoxy-a-methyl-) Related Products
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