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156478-71-6 | 1-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 156478-71-6 Catalog No: AG001OQ7 MDL No:MFCD02682402
Product Description
Catalog Number:
AG001OQ7
Chemical Name:
1-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
156478-71-6
Molecular Formula:
C11H20N2O4
Molecular Weight:
244.2875
MDL Number:
MFCD02682402
IUPAC Name:
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
InChI:
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-4-12(5-7-13)8-9(14)15/h4-8H2,1-3H3,(H,14,15)
InChI Key:
WZBHMXRBXXCEDD-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)CC(=O)O)OC(C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.291g/mol
Monoisotopic Mass:
244.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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