Home Other Building Blocks 1-ethyl 3-methyl 2-(trifluoromethyl)propanedioate

1-ethyl 3-methyl 2-(trifluoromethyl)propanedioate

CAS No.:
5828-95-5
Catalog Number:
AG01BHQQ
Molecular Formula:
C7H9F3O4
Molecular Weight:
214.1392
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Product Description
Catalog Number:
AG01BHQQ
Chemical Name:
1-ethyl 3-methyl 2-(trifluoromethyl)propanedioate
CAS Number:
5828-95-5
Molecular Formula:
C7H9F3O4
Molecular Weight:
214.1392
MDL Number:
MFCD29041032
IUPAC Name:
1-O-ethyl 3-O-methyl 2-(trifluoromethyl)propanedioate
InChI:
InChI=1S/C7H9F3O4/c1-3-14-6(12)4(5(11)13-2)7(8,9)10/h4H,3H2,1-2H3
InChI Key:
ZGEOYNKXFJTRQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(F)(F)F)C(=O)OC
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.045g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.14g/mol
Monoisotopic Mass:
214.045g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties