Home Other Building Blocks 2-[6-(trifluoromethyl)oxan-2-yl]acetic acid

2-[6-(trifluoromethyl)oxan-2-yl]acetic acid

CAS No.:
2137646-12-7
Catalog Number:
AG01EL1T
Molecular Formula:
C8H11F3O3
Molecular Weight:
212.1663
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Product Description
Catalog Number:
AG01EL1T
Chemical Name:
2-[6-(trifluoromethyl)oxan-2-yl]acetic acid
CAS Number:
2137646-12-7
Molecular Formula:
C8H11F3O3
Molecular Weight:
212.1663
MDL Number:
MFCD31433994
IUPAC Name:
2-[6-(trifluoromethyl)oxan-2-yl]acetic acid
InChI:
InChI=1S/C8H11F3O3/c9-8(10,11)6-3-1-2-5(14-6)4-7(12)13/h5-6H,1-4H2,(H,12,13)
InChI Key:
GXBYZAXJUHSWEW-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCC(O1)C(F)(F)F
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.066g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.168g/mol
Monoisotopic Mass:
212.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties