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183591-72-2 | 2-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 183591-72-2 Catalog No: AG0027Q9 MDL No:MFCD03001351
Product Description
Catalog Number:
AG0027Q9
Chemical Name:
2-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
183591-72-2
Molecular Formula:
C11H20N2O4
Molecular Weight:
244.2875
MDL Number:
MFCD03001351
IUPAC Name:
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]acetic acid
InChI:
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-4-12-8(7-13)6-9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15)
InChI Key:
JTCVUIFTKFUZNA-UHFFFAOYSA-N
SMILES:
OC(=O)CC1NCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
298
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:
2
Isotope Atom Count:
0
Molecular Weight:
244.291g/mol
Monoisotopic Mass:
244.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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