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1303972-97-5 | 1-Piperidinecarboxylic acid, 4-fluoro-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1303972-97-5 Catalog No: AG000UCM MDL No:MFCD18909817
Product Description
Catalog Number:
AG000UCM
Chemical Name:
1-Piperidinecarboxylic acid, 4-fluoro-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1303972-97-5
Molecular Formula:
C11H20FNO3
Molecular Weight:
233.2798
MDL Number:
MFCD18909817
IUPAC Name:
tert-butyl 4-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H20FNO3/c1-11(2,3)16-10(15)13-5-4-9(12)8(6-13)7-14/h8-9,14H,4-7H2,1-3H3
InChI Key:
JOKNUZASZUDOEI-UHFFFAOYSA-N
SMILES:
OCC1CN(CCC1F)C(=O)OC(C)(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.283g/mol
Monoisotopic Mass:
233.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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