2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]acetic acid;hydrate


Chemical Name: 2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]acetic acid;hydrate
CAS Number: 180576-05-0
Product Number: AG002249(AGN-PC-0IBWUK)
Synonyms:
MDL No:
Molecular Formula: C21H22N2O4
Molecular Weight: 366.4104

Identification/Properties


Computed Properties
Molecular Weight:
366.417g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
366.158g/mol
Monoisotopic Mass:
366.158g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
524
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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