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1260803-61-9 | 4-Piperidinecarboxylic acid, 3-(trifluoromethyl)-
CAS No: 1260803-61-9 Catalog No: AG000RCH MDL No:
Product Description
Catalog Number:
AG000RCH
Chemical Name:
4-Piperidinecarboxylic acid, 3-(trifluoromethyl)-
CAS Number:
1260803-61-9
Molecular Formula:
C7H10F3NO2
Molecular Weight:
197.1550
IUPAC Name:
3-(trifluoromethyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C7H10F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h4-5,11H,1-3H2,(H,12,13)
InChI Key:
VJGRMYDXYFSTGD-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCNCC1C(F)(F)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.157g/mol
Monoisotopic Mass:
197.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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