200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1260649-60-2
1260649-60-2 | 1,4-Piperidinedicarboxylic acid, 3-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester
CAS No: 1260649-60-2 Catalog No: AG000QYE MDL No:
Product Description
Catalog Number:
AG000QYE
Chemical Name:
1,4-Piperidinedicarboxylic acid, 3-(trifluoromethyl)-, 1-(1,1-dimethylethyl) ester
CAS Number:
1260649-60-2
Molecular Formula:
C12H17F3NO4-
Molecular Weight:
296.2629
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C12H18F3NO4/c1-11(2,3)20-10(19)16-5-4-7(9(17)18)8(6-16)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,17,18)
InChI Key:
FZQHRSMRHOQSOY-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CCN(CC1C(F)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.274g/mol
Monoisotopic Mass:
297.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.