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853681-16-0 | 1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-[(1E)-2-phenylethenyl]-
CAS No: 853681-16-0 Catalog No: AG004OXS MDL No:MFCD01862503
Product Description
Catalog Number:
AG004OXS
Chemical Name:
1-Piperazineaceticacid, 4-[(1,1-dimethylethoxy)carbonyl]-a-[(1E)-2-phenylethenyl]-
CAS Number:
853681-16-0
Molecular Formula:
C19H26N2O4
Molecular Weight:
346.4207
MDL Number:
MFCD01862503
IUPAC Name:
(E)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-phenylbut-3-enoic acid
InChI:
InChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)21-13-11-20(12-14-21)16(17(22)23)10-9-15-7-5-4-6-8-15/h4-10,16H,11-14H2,1-3H3,(H,22,23)/b10-9+
InChI Key:
SJGWOAUBXYMANH-MDZDMXLPSA-N
SMILES:
OC(=O)C(N1CCN(CC1)C(=O)OC(C)(C)C)/C=C/c1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
346.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.427g/mol
Monoisotopic Mass:
346.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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