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934342-39-9 | 1-Boc-3-fluoropiperidine-3-carboxylic Acid
CAS No: 934342-39-9 Catalog No: AG0032OR MDL No:MFCD11847195
Product Description
Catalog Number:
AG0032OR
Chemical Name:
1-Boc-3-fluoropiperidine-3-carboxylic Acid
CAS Number:
934342-39-9
Molecular Formula:
C11H18FNO4
Molecular Weight:
247.2633
MDL Number:
MFCD11847195
IUPAC Name:
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C11H18FNO4/c1-10(2,3)17-9(16)13-6-4-5-11(12,7-13)8(14)15/h4-7H2,1-3H3,(H,14,15)
InChI Key:
BUOPUFGUVSXFRG-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)(F)C(=O)O)OC(C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.266g/mol
Monoisotopic Mass:
247.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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