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1260676-44-5 | 1-Piperidinecarboxylic acid, 3-ethyl-4-oxo-, phenylmethyl ester
CAS No: 1260676-44-5 Catalog No: AG000R1K MDL No:
Product Description
Catalog Number:
AG000R1K
Chemical Name:
1-Piperidinecarboxylic acid, 3-ethyl-4-oxo-, phenylmethyl ester
CAS Number:
1260676-44-5
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
benzyl 3-ethyl-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C15H19NO3/c1-2-13-10-16(9-8-14(13)17)15(18)19-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChI Key:
NGSULSUWEVWFMR-UHFFFAOYSA-N
SMILES:
CCC1CN(CCC1=O)C(=O)OCc1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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