Cas no 186255-43-6 (Benzeneacetaldehyde,4-ethoxy-3-methoxy-a-oxo-)
186255-43-6 structure
Product Name:Benzeneacetaldehyde,4-ethoxy-3-methoxy-a-oxo-
CAS No:186255-43-6
MF:C11H12O4
MW:208.210583686829
CID:114782
PubChem ID:45094148
Update Time:2025-04-18
Benzeneacetaldehyde,4-ethoxy-3-methoxy-a-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetaldehyde,4-ethoxy-3-methoxy-a-oxo-
- 2-(4-ethoxy-3-methoxyphenyl)-2-oxoacetaldehyde
- Benzeneacetaldehyde, 4-ethoxy-3-methoxy-alpha-oxo- (9CI)
- (4-Ethoxy-3-methoxyphenyl)(oxo)acetaldehyde
- 186255-43-6
- DTXSID00667253
-
- Inchi： 1S/C11H12O4/c1-3-15-10-5-4-8(9(13)7-12)6-11(10)14-2/h4-7H,3H2,1-2H3
- InChI Key： MRODTVZTGWZJQO-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(C(C=O)=O)=CC=1OC
Computed Properties
- Exact Mass: 208.07356
- Monoisotopic Mass: 208.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- 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
- XLogP3: 1.8
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- PSA: 52.6
Benzeneacetaldehyde,4-ethoxy-3-methoxy-a-oxo- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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