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1260674-52-9 | 1-Piperidinecarboxylic acid, 2-(fluoromethyl)-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1260674-52-9 Catalog No: AG000R1U MDL No:MFCD11975879
Product Description
Catalog Number:
AG000R1U
Chemical Name:
1-Piperidinecarboxylic acid, 2-(fluoromethyl)-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1260674-52-9
Molecular Formula:
C11H18FNO3
Molecular Weight:
231.2639
MDL Number:
MFCD11975879
IUPAC Name:
tert-butyl 2-(fluoromethyl)-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C11H18FNO3/c1-11(2,3)16-10(15)13-5-4-9(14)6-8(13)7-12/h8H,4-7H2,1-3H3
InChI Key:
OQFYENYYONOJBE-UHFFFAOYSA-N
SMILES:
FCC1CC(=O)CCN1C(=O)OC(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.267g/mol
Monoisotopic Mass:
231.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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