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129365-24-8 | 1,2-Piperazinedicarboxylic acid, 1-(phenylmethyl) ester
CAS No: 129365-24-8 Catalog No: AG000Z3W MDL No:MFCD04972466
Product Description
Catalog Number:
AG000Z3W
Chemical Name:
1,2-Piperazinedicarboxylic acid, 1-(phenylmethyl) ester
CAS Number:
129365-24-8
Molecular Formula:
C13H15N2O4-
Molecular Weight:
263.2692
MDL Number:
MFCD04972466
IUPAC Name:
1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
InChI:
InChI=1S/C13H16N2O4/c16-12(17)11-8-14-6-7-15(11)13(18)19-9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2,(H,16,17)
InChI Key:
KEIDRYXLYCWVSP-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CNCCN1C(=O)OCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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