Cas no 50496-34-9 (Propanoic acid, 3-chloro-2-methyl-3-oxo-, ethyl ester)
50496-34-9 structure
Product Name:Propanoic acid, 3-chloro-2-methyl-3-oxo-, ethyl ester
CAS No:50496-34-9
MF:C6H9ClO3
MW:164.586861371994
CID:364804
PubChem ID:10888271
Update Time:2025-04-19
Propanoic acid, 3-chloro-2-methyl-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-chloro-2-methyl-3-oxo-, ethyl ester
- ethyl 3-chloro-2-methyl-3-oxopropanoate
- ethyl 2-chloroformyl-propionate
- ZOEBOKASEORHKI-UHFFFAOYSA-N
- 50496-34-9
- ethyl 2-chloroformylpropanoate
- FT-0747284
- ethyl 2-chloroformylpropionate
- DTXSID50447163
- 2-chlorocarbonyl-propionic acid ethyl ester
- AKOS005215749
- SCHEMBL4361328
-
- Inchi： 1S/C6H9ClO3/c1-3-10-6(9)4(2)5(7)8/h4H,3H2,1-2H3
- InChI Key： ZOEBOKASEORHKI-UHFFFAOYSA-N
- SMILES： ClC(C(C(=O)OCC)C)=O
Computed Properties
- Exact Mass: 164.02407
- Monoisotopic Mass: 164.0240218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 144
- 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
- XLogP3: 1.7
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Propanoic acid, 3-chloro-2-methyl-3-oxo-, ethyl ester Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
50496-34-9 (Propanoic acid, 3-chloro-2-methyl-3-oxo-, ethyl ester) Related Products
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