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828259-32-1 | 3-Piperidineacetic acid, 2-oxo-1-(3-phenylpropyl)-
CAS No: 828259-32-1 Catalog No: AG004T36 MDL No:
Product Description
Catalog Number:
AG004T36
Chemical Name:
3-Piperidineacetic acid, 2-oxo-1-(3-phenylpropyl)-
CAS Number:
828259-32-1
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
IUPAC Name:
2-[2-oxo-1-(3-phenylpropyl)piperidin-3-yl]acetic acid
InChI:
InChI=1S/C16H21NO3/c18-15(19)12-14-9-5-11-17(16(14)20)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,19)
InChI Key:
PBRUJJCOEHXJMI-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCCN(C1=O)CCCc1ccccc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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