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129799-08-2 | 1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 129799-08-2 Catalog No: AG000TP4 MDL No:MFCD01632465
Product Description
Catalog Number:
AG000TP4
Chemical Name:
1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
129799-08-2
Molecular Formula:
C11H20N2O4
Molecular Weight:
244.2875
MDL Number:
MFCD01632465
IUPAC Name:
1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate
InChI:
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4/h8,12H,5-7H2,1-4H3
InChI Key:
QUKAHFCVKNRRBU-UHFFFAOYSA-N
SMILES:
COC(=O)C1NCCN(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:
1
Isotope Atom Count:
0
Molecular Weight:
244.291g/mol
Monoisotopic Mass:
244.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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