Home Other Building Blocks (3E)-4-ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one, E

(3E)-4-ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one, E

CAS No.:
121781-56-4
Catalog Number:
AG01E8NF
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
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Product Description
Catalog Number:
AG01E8NF
Chemical Name:
(3E)-4-ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one, E
CAS Number:
121781-56-4
Molecular Formula:
C7H9F3O2
Molecular Weight:
182.1404
MDL Number:
MFCD30730450
IUPAC Name:
(E)-4-ethoxy-1,1,1-trifluoro-3-methylbut-3-en-2-one
InChI:
InChI=1S/C7H9F3O2/c1-3-12-4-5(2)6(11)7(8,9)10/h4H,3H2,1-2H3/b5-4+
InChI Key:
MDSDQULKLSBZHK-SNAWJCMRSA-N
SMILES:
CCO/C=C(/C(=O)C(F)(F)F)\C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
182.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.142g/mol
Monoisotopic Mass:
182.055g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties