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1269755-53-4 | 3-Piperidinecarboxylic acid, 5-(trifluoromethyl)-, methyl ester
CAS No: 1269755-53-4 Catalog No: AG000WHF MDL No:MFCD24553240
Product Description
Catalog Number:
AG000WHF
Chemical Name:
3-Piperidinecarboxylic acid, 5-(trifluoromethyl)-, methyl ester
CAS Number:
1269755-53-4
Molecular Formula:
C8H12F3NO2
Molecular Weight:
211.1816
MDL Number:
MFCD24553240
IUPAC Name:
methyl 5-(trifluoromethyl)piperidine-3-carboxylate
InChI:
InChI=1S/C8H12F3NO2/c1-14-7(13)5-2-6(4-12-3-5)8(9,10)11/h5-6,12H,2-4H2,1H3
InChI Key:
ZFYKDGRNKLVWMO-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCC(C1)C(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.184g/mol
Monoisotopic Mass:
211.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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