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160169-47-1 | 1-Piperidinecarboxylic acid, 2-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-, phenylmethyl ester, (2R)-
CAS No: 160169-47-1 Catalog No: AG001RPN MDL No:
Product Description
Catalog Number:
AG001RPN
Chemical Name:
1-Piperidinecarboxylic acid, 2-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-, phenylmethyl ester, (2R)-
CAS Number:
160169-47-1
Molecular Formula:
C18H23NO4
Molecular Weight:
317.3795
IUPAC Name:
benzyl (2R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
InChI:
InChI=1S/C18H23NO4/c1-2-22-17(20)12-11-16-10-6-7-13-19(16)18(21)23-14-15-8-4-3-5-9-15/h3-5,8-9,11-12,16H,2,6-7,10,13-14H2,1H3/b12-11+/t16-/m1/s1
InChI Key:
NVIYRNUTCODANF-LPQFERQCSA-N
SMILES:
CCOC(=O)/C=C/[C@H]1CCCCN1C(=O)OCc1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
317.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.385g/mol
Monoisotopic Mass:
317.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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