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197785-82-3 | Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, butyl ester
CAS No: 197785-82-3 Catalog No: AG002B0A MDL No:
Product Description
Catalog Number:
AG002B0A
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, butyl ester
CAS Number:
197785-82-3
Molecular Formula:
C8H13F3O3
Molecular Weight:
214.1822
IUPAC Name:
butyl 3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
InChI:
InChI=1S/C8H13F3O3/c1-3-4-5-14-6(12)7(2,13)8(9,10)11/h13H,3-5H2,1-2H3
InChI Key:
FWPDFCSSQIUIGD-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(C(F)(F)F)(O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.184g/mol
Monoisotopic Mass:
214.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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