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128019-59-0 | 1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) ester
CAS No: 128019-59-0 Catalog No: AG000XON MDL No:MFCD01076218
Product Description
Catalog Number:
AG000XON
Chemical Name:
1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) ester
CAS Number:
128019-59-0
Molecular Formula:
C10H17N2O4-
Molecular Weight:
229.2530
MDL Number:
MFCD01076218
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
InChI:
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)
InChI Key:
YRYAXQJXMBETAT-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1NCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.264g/mol
Monoisotopic Mass:
230.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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