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23482-34-0 | 1-Piperidinecarboxylic acid, 4-hydroxy-4-[3-(trifluoromethyl)phenyl]-, ethyl ester
CAS No: 23482-34-0 Catalog No: AG002NDB MDL No:
Product Description
Catalog Number:
AG002NDB
Chemical Name:
1-Piperidinecarboxylic acid, 4-hydroxy-4-[3-(trifluoromethyl)phenyl]-, ethyl ester
CAS Number:
23482-34-0
Molecular Formula:
C15H18F3NO3
Molecular Weight:
317.3035
IUPAC Name:
ethyl 4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
InChI:
InChI=1S/C15H18F3NO3/c1-2-22-13(20)19-8-6-14(21,7-9-19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10,21H,2,6-9H2,1H3
InChI Key:
GKXBDEHOLDJPBP-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCC(CC1)(O)c1cccc(c1)C(F)(F)F
EC Number:
245-685-9
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.308g/mol
Monoisotopic Mass:
317.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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