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126501-70-0 | 4-Piperidinecarboxylic acid, 1-(2,2,2-trifluoroacetyl)-
CAS No: 126501-70-0 Catalog No: AG000SUJ MDL No:MFCD03840837
Product Description
Catalog Number:
AG000SUJ
Chemical Name:
4-Piperidinecarboxylic acid, 1-(2,2,2-trifluoroacetyl)-
CAS Number:
126501-70-0
Molecular Formula:
C8H10F3NO3
Molecular Weight:
225.1651
MDL Number:
MFCD03840837
IUPAC Name:
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-3-1-5(2-4-12)6(13)14/h5H,1-4H2,(H,13,14)
InChI Key:
USCGUOIGFONADD-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)N1CCC(CC1)C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.167g/mol
Monoisotopic Mass:
225.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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