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129799-11-7 | 1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester
CAS No: 129799-11-7 Catalog No: AG000TP3 MDL No:MFCD03001724
Product Description
Catalog Number:
AG000TP3
Chemical Name:
1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester
CAS Number:
129799-11-7
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD03001724
IUPAC Name:
1-O-benzyl 3-O-methyl piperazine-1,3-dicarboxylate
InChI:
InChI=1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChI Key:
FYKXWBBQYZXPFB-UHFFFAOYSA-N
SMILES:
COC(=O)C1NCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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