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1163729-47-2 | Cyclohexanecarboxylic acid, 4-hydroxy-4-(trifluoromethyl)-
CAS No: 1163729-47-2 Catalog No: AG000CC4 MDL No:MFCD13659409
Product Description
Catalog Number:
AG000CC4
Chemical Name:
Cyclohexanecarboxylic acid, 4-hydroxy-4-(trifluoromethyl)-
CAS Number:
1163729-47-2
Molecular Formula:
C8H11F3O3
Molecular Weight:
212.1663
MDL Number:
MFCD13659409
IUPAC Name:
4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H11F3O3/c9-8(10,11)7(14)3-1-5(2-4-7)6(12)13/h5,14H,1-4H2,(H,12,13)
InChI Key:
FIUBKGKIMNZJSO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(CC1)(O)C(F)(F)F
Properties
Complexity:
229
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:
2
Isotope Atom Count:
0
Molecular Weight:
212.168g/mol
Monoisotopic Mass:
212.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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