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139679-45-1 | 4-Piperidinecarboxylic acid, 1-(4-fluorobenzoyl)-
CAS No: 139679-45-1 Catalog No: AG001BHP MDL No:MFCD02070181
Product Description
Catalog Number:
AG001BHP
Chemical Name:
4-Piperidinecarboxylic acid, 1-(4-fluorobenzoyl)-
CAS Number:
139679-45-1
Molecular Formula:
C13H14FNO3
Molecular Weight:
251.2536
MDL Number:
MFCD02070181
IUPAC Name:
1-(4-fluorobenzoyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H14FNO3/c14-11-3-1-9(2-4-11)12(16)15-7-5-10(6-8-15)13(17)18/h1-4,10H,5-8H2,(H,17,18)
InChI Key:
NOBBVBPNOXXVPA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)F)N1CCC(CC1)C(=O)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.257g/mol
Monoisotopic Mass:
251.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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