Home Other Building Blocks methyl 4-(2,2,2-trifluoroethoxy)but-2-enoate

methyl 4-(2,2,2-trifluoroethoxy)but-2-enoate

CAS No.:
1864760-24-6
Catalog Number:
AG01AP3L
Molecular Formula:
C7H9F3O3
Molecular Weight:
198.1398
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Product Description
Catalog Number:
AG01AP3L
Chemical Name:
methyl 4-(2,2,2-trifluoroethoxy)but-2-enoate
CAS Number:
1864760-24-6
Molecular Formula:
C7H9F3O3
Molecular Weight:
198.1398
MDL Number:
MFCD29034387
IUPAC Name:
methyl 4-(2,2,2-trifluoroethoxy)but-2-enoate
InChI:
InChI=1S/C7H9F3O3/c1-12-6(11)3-2-4-13-5-7(8,9)10/h2-3H,4-5H2,1H3
InChI Key:
NPHAQDSRNXIXHZ-UHFFFAOYSA-N
SMILES:
COC(=O)C=CCOCC(F)(F)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.141g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.3  
Properties