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128200-19-1 | 1-Piperidinepropanoic acid, 3-(ethoxycarbonyl)-, ethyl ester
CAS No: 128200-19-1 Catalog No: AG000XVD MDL No:
Product Description
Catalog Number:
AG000XVD
Chemical Name:
1-Piperidinepropanoic acid, 3-(ethoxycarbonyl)-, ethyl ester
CAS Number:
128200-19-1
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
IUPAC Name:
ethyl 1-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
InChI:
InChI=1S/C13H23NO4/c1-3-17-12(15)7-9-14-8-5-6-11(10-14)13(16)18-4-2/h11H,3-10H2,1-2H3
InChI Key:
GFLUAMLAAMOMCM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCN1CCCC(C1)C(=O)OCC
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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