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828259-31-0 | 3-Piperidineacetic acid, 2-oxo-1-(2-phenylethyl)-
CAS No: 828259-31-0 Catalog No: AG008IF4 MDL No:
Product Description
Catalog Number:
AG008IF4
Chemical Name:
3-Piperidineacetic acid, 2-oxo-1-(2-phenylethyl)-
CAS Number:
828259-31-0
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
2-[2-oxo-1-(2-phenylethyl)piperidin-3-yl]acetic acid
InChI:
InChI=1S/C15H19NO3/c17-14(18)11-13-7-4-9-16(15(13)19)10-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,17,18)
InChI Key:
UVJQVYRRPUTFHD-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCN(C1=O)CCc1ccccc1
Properties
Complexity:
323
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:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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