Home Carboxys 6-oxo-4-(trifluoromethyl)piperidine-3-carboxylic acid

6-oxo-4-(trifluoromethyl)piperidine-3-carboxylic acid

CAS No.:
1521399-36-9
Catalog Number:
AG01BADY
Molecular Formula:
C7H8F3NO3
Molecular Weight:
211.1385
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Product Description
Catalog Number:
AG01BADY
Chemical Name:
6-oxo-4-(trifluoromethyl)piperidine-3-carboxylic acid
CAS Number:
1521399-36-9
Molecular Formula:
C7H8F3NO3
Molecular Weight:
211.1385
MDL Number:
MFCD29500076
IUPAC Name:
6-oxo-4-(trifluoromethyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C7H8F3NO3/c8-7(9,10)4-1-5(12)11-2-3(4)6(13)14/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChI Key:
SIWWQHCGXDZKKN-UHFFFAOYSA-N
SMILES:
O=C1NCC(C(C1)C(F)(F)F)C(=O)O
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.14g/mol
Monoisotopic Mass:
211.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties