Home Carboxys 4-[3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid

4-[3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid

CAS No.:
1035261-84-7
Catalog Number:
AG019X0X
Molecular Formula:
C13H13F3O3
Molecular Weight:
274.2357
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Product Description
Catalog Number:
AG019X0X
Chemical Name:
4-[3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid
CAS Number:
1035261-84-7
Molecular Formula:
C13H13F3O3
Molecular Weight:
274.2357
MDL Number:
MFCD10690199
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid
InChI:
InChI=1S/C13H13F3O3/c14-13(15,16)10-3-1-2-9(8-10)12(11(17)18)4-6-19-7-5-12/h1-3,8H,4-7H2,(H,17,18)
InChI Key:
CKZJJQRWWKDAHA-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCOCC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.082g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.239g/mol
Monoisotopic Mass:
274.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties