Cas no 122795-13-5 (Butanoic acid,2-fluoro-2-methyl-3-oxo-, ethyl ester)
122795-13-5 structure
Product Name:Butanoic acid,2-fluoro-2-methyl-3-oxo-, ethyl ester
CAS No:122795-13-5
MF:C7H11FO3
MW:162.158846139908
CID:104409
PubChem ID:10953829
Update Time:2025-04-18
Butanoic acid,2-fluoro-2-methyl-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-fluoro-2-methyl-3-oxo-, ethyl ester
- Butanoic acid, 2-fluoro-2-methyl-3-oxo-, ethyl ester
- 122795-13-5
- SCHEMBL8160331
- ETHYL 2-FLUORO-2-METHYL-3-OXOBUTANOATE
-
- Inchi： 1S/C7H11FO3/c1-4-11-6(10)7(3,8)5(2)9/h4H2,1-3H3
- InChI Key： OWWHYTYIIZMKIH-UHFFFAOYSA-N
- SMILES： FC(C(=O)OCC)(C(C)=O)C
Computed Properties
- Exact Mass: 162.06922237g/mol
- Monoisotopic Mass: 162.06922237g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 179
- 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
- Topological Polar Surface Area: 43.4?2
Butanoic acid,2-fluoro-2-methyl-3-oxo-, ethyl ester Related Literature
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Richard D. Chambers,Darren Holling,Robert C. H. Spink,Graham Sandford Lab Chip 2001 1 132
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