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1251760-53-8 | Propanedioic acid, 2-[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinylidene]-, 1,3-diethyl ester
CAS No: 1251760-53-8 Catalog No: AG000NAF MDL No:
Product Description
Catalog Number:
AG000NAF
Chemical Name:
Propanedioic acid, 2-[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinylidene]-, 1,3-diethyl ester
CAS Number:
1251760-53-8
Molecular Formula:
C17H27NO6
Molecular Weight:
341.3994
IUPAC Name:
diethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-ylidene]propanedioate
InChI:
InChI=1S/C17H27NO6/c1-6-22-14(19)13(15(20)23-7-2)12-8-10-18(11-9-12)16(21)24-17(3,4)5/h6-11H2,1-5H3
InChI Key:
WXDZKIWMMLRNFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.184g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.404g/mol
Monoisotopic Mass:
341.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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