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149526-95-4 | Propanoic acid, 3,3,3-trifluoro-2-hydroxy-, 1-methylethyl ester
CAS No: 149526-95-4 Catalog No: AG001LSW MDL No:
Product Description
Catalog Number:
AG001LSW
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-hydroxy-, 1-methylethyl ester
CAS Number:
149526-95-4
Molecular Formula:
C6H9F3O3
Molecular Weight:
186.1291
IUPAC Name:
propan-2-yl 3,3,3-trifluoro-2-hydroxypropanoate
InChI:
InChI=1S/C6H9F3O3/c1-3(2)12-5(11)4(10)6(7,8)9/h3-4,10H,1-2H3
InChI Key:
PWDQWZKGRJRHSH-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)C(=O)OC(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.13g/mol
Monoisotopic Mass:
186.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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