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Home Other Building Blocks 1-(2,5-dimethylfuran-3-yl)-4,4,4-trifluorobutane-1,3-dione

1-(2,5-dimethylfuran-3-yl)-4,4,4-trifluorobutane-1,3-dione

CAS No.:
578-29-0
Catalog Number:
AG01AI1G
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
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Product Description
Catalog Number:
AG01AI1G
Chemical Name:
1-(2,5-dimethylfuran-3-yl)-4,4,4-trifluorobutane-1,3-dione
CAS Number:
578-29-0
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD11190815
IUPAC Name:
1-(2,5-dimethylfuran-3-yl)-4,4,4-trifluorobutane-1,3-dione
InChI:
InChI=1S/C10H9F3O3/c1-5-3-7(6(2)16-5)8(14)4-9(15)10(11,12)13/h3H,4H2,1-2H3
InChI Key:
BHOMEGVDWHEJTQ-UHFFFAOYSA-N
SMILES:
O=C(c1cc(oc1C)C)CC(=O)C(F)(F)F
NSC Number:
80405
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties