Home Other Building Blocks methyl 3-oxo-2-(trifluoromethyl)butanoate

methyl 3-oxo-2-(trifluoromethyl)butanoate

CAS No.:
93885-06-4
Catalog Number:
AG01A2B1
Molecular Formula:
C6H7F3O3
Molecular Weight:
184.1132
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Product Description
Catalog Number:
AG01A2B1
Chemical Name:
methyl 3-oxo-2-(trifluoromethyl)butanoate
CAS Number:
93885-06-4
Molecular Formula:
C6H7F3O3
Molecular Weight:
184.1132
MDL Number:
MFCD21950419
IUPAC Name:
methyl 3-oxo-2-(trifluoromethyl)butanoate
InChI:
InChI=1S/C6H7F3O3/c1-3(10)4(5(11)12-2)6(7,8)9/h4H,1-2H3
InChI Key:
PXWIRYYZPASCQB-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(F)(F)F)C(=O)C
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.114g/mol
Monoisotopic Mass:
184.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties