1-Piperazinecarboxylic acid, 4-(3-carboxy-4-nitrophenyl)-,1-(1,1-dimethylethyl) ester


Chemical Name: 1-Piperazinecarboxylic acid, 4-(3-carboxy-4-nitrophenyl)-,1-(1,1-dimethylethyl) ester
CAS Number: 183622-36-8
Product Number: AG0027SC(AGN-PC-0QCLMY)
Synonyms:
MDL No:
Molecular Formula: C16H21N3O6
Molecular Weight: 351.3544

Identification/Properties


Computed Properties
Molecular Weight:
351.359g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
351.143g/mol
Monoisotopic Mass:
351.143g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
519
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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