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1439896-72-6 | 2-{4-[4-(Trifluoromethyl)phenyl]oxan-4-yl}acetic acid
CAS No: 1439896-72-6 Catalog No: AG01F8AK MDL No:
Product Description
Catalog Number:
AG01F8AK
Chemical Name:
2-{4-[4-(Trifluoromethyl)phenyl]oxan-4-yl}acetic acid
CAS Number:
1439896-72-6
Molecular Formula:
C14H15F3O3
Molecular Weight:
288.2623
IUPAC Name:
2-[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]acetic acid
InChI:
InChI=1S/C14H15F3O3/c15-14(16,17)11-3-1-10(2-4-11)13(9-12(18)19)5-7-20-8-6-13/h1-4H,5-9H2,(H,18,19)
InChI Key:
ZGAFRTJCSYEMAZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCOCC1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.097g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.266g/mol
Monoisotopic Mass:
288.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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