Cas no 50774-86-2 (Butanoic acid, 3-chloro-2-oxo-, ethyl ester)
50774-86-2 structure
Product Name:Butanoic acid, 3-chloro-2-oxo-, ethyl ester
CAS No:50774-86-2
MF:C6H9ClO3
MW:164.586861371994
CID:934254
PubChem ID:71438006
Update Time:2025-04-19
Butanoic acid, 3-chloro-2-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 3-chloro-2-oxo-, ethyl ester
- 3-?chloro-?2-?oxoButanoic acid ethyl ester
- Ethyl-3-chloro-2-oxo butanoate
- DA-25557
- Butanoic acid, 3-chloro-2-oxo-, ethyl ester
- 50774-86-2
- ETHYL 3-CHLORO-2-OXOBUTANOATE
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- Inchi: 1S/C6H9ClO3/c1-3-10-6(9)5(8)4(2)7/h4H,3H2,1-2H3
- InChI Key: WHHFJPUOJRVNFU-UHFFFAOYSA-N
- SMILES: ClC(C)C(C(=O)OCC)=O
Computed Properties
- Exact Mass: 164.024
- Monoisotopic Mass: 164.024
- 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
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 1.4
Butanoic acid, 3-chloro-2-oxo-, ethyl ester Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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