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1385694-77-8 | Cyclohexanecarboxylic acid, 4-oxo-1-[3-(trifluoromethyl)phenyl]-
CAS No: 1385694-77-8 Catalog No: AG0018R8 MDL No:MFCD22423124
Product Description
Catalog Number:
AG0018R8
Chemical Name:
Cyclohexanecarboxylic acid, 4-oxo-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
1385694-77-8
Molecular Formula:
C14H13F3O3
Molecular Weight:
286.2464
MDL Number:
MFCD22423124
IUPAC Name:
4-oxo-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C14H13F3O3/c15-14(16,17)10-3-1-2-9(8-10)13(12(19)20)6-4-11(18)5-7-13/h1-3,8H,4-7H2,(H,19,20)
InChI Key:
UPDOBMFRXJMTIG-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)(C(=O)O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.25g/mol
Monoisotopic Mass:
286.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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