Home Other Building Blocks methyl 2-hydroxy-5-[4-(trifluoromethyl)phenyl]pentanoate

methyl 2-hydroxy-5-[4-(trifluoromethyl)phenyl]pentanoate

CAS No.:
1864073-37-9
Catalog Number:
AG01AUKC
Molecular Formula:
C13H15F3O3
Molecular Weight:
276.2516
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Product Description
Catalog Number:
AG01AUKC
Chemical Name:
methyl 2-hydroxy-5-[4-(trifluoromethyl)phenyl]pentanoate
CAS Number:
1864073-37-9
Molecular Formula:
C13H15F3O3
Molecular Weight:
276.2516
MDL Number:
MFCD29041113
IUPAC Name:
methyl 2-hydroxy-5-[4-(trifluoromethyl)phenyl]pentanoate
InChI:
InChI=1S/C13H15F3O3/c1-19-12(18)11(17)4-2-3-9-5-7-10(8-6-9)13(14,15)16/h5-8,11,17H,2-4H2,1H3
InChI Key:
IEIFVPXMSCENBV-UHFFFAOYSA-N
SMILES:
COC(=O)C(CCCc1ccc(cc1)C(F)(F)F)O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.097g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.255g/mol
Monoisotopic Mass:
276.097g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties