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Home > Fluorides > 102129-07-7
102129-07-7 | 2H-Pyran-2,4(3H)-dione, 6-methyl-3-[4,4,4-trifluoro-3-hydroxy-1-oxo-3-(trifluoromethyl)butyl]-
CAS No: 102129-07-7 Catalog No: AG0006OX MDL No:
Product Description
Catalog Number:
AG0006OX
Chemical Name:
2H-Pyran-2,4(3H)-dione, 6-methyl-3-[4,4,4-trifluoro-3-hydroxy-1-oxo-3-(trifluoromethyl)butyl]-
CAS Number:
102129-07-7
Molecular Formula:
C11H8F6O5
Molecular Weight:
334.1686
IUPAC Name:
6-methyl-3-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl]pyran-2,4-dione
InChI:
InChI=1S/C11H8F6O5/c1-4-2-5(18)7(8(20)22-4)6(19)3-9(21,10(12,13)14)11(15,16)17/h2,7,21H,3H2,1H3
InChI Key:
AUWNJELNHVOCFY-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)C(C(=O)O1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O
NSC Number:
162134
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.17g/mol
Monoisotopic Mass:
334.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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