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75999-93-8 | 4-Piperidinepropanoic acid, 1-benzoyl-
CAS No: 75999-93-8 Catalog No: AG005GSU MDL No:
Product Description
Catalog Number:
AG005GSU
Chemical Name:
4-Piperidinepropanoic acid, 1-benzoyl-
CAS Number:
75999-93-8
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
3-(1-benzoylpiperidin-4-yl)propanoic acid
InChI:
InChI=1S/C15H19NO3/c17-14(18)7-6-12-8-10-16(11-9-12)15(19)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,18)
InChI Key:
OCUKEGTXSFDMCN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CCC(CC1)CCC(=O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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