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147727-14-8 | 3-Piperidinecarboxylic acid, 5-fluoro-, cis- (9CI)
CAS No: 147727-14-8 Catalog No: AG001F5Y MDL No:
Product Description
Catalog Number:
AG001F5Y
Chemical Name:
3-Piperidinecarboxylic acid, 5-fluoro-, cis- (9CI)
CAS Number:
147727-14-8
Molecular Formula:
C6H10FNO2
Molecular Weight:
147.1475
IUPAC Name:
(3R,5S)-5-fluoropiperidine-3-carboxylic acid
InChI:
InChI=1S/C6H10FNO2/c7-5-1-4(6(9)10)2-8-3-5/h4-5,8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
InChI Key:
ABCIBAVERQIFAT-UHNVWZDZSA-N
SMILES:
OC(=O)[C@H]1C[C@@H](F)CNC1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
147.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.149g/mol
Monoisotopic Mass:
147.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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