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137659-64-4

137659-64-4 | Phosphonic acid, [(4-hydroxy-1-piperazinyl)methyl]- (9CI)

CAS No: 137659-64-4 Catalog No: AG0013PB MDL No:

Product Description

Catalog Number:
AG0013PB
Chemical Name:
Phosphonic acid, [(4-hydroxy-1-piperazinyl)methyl]- (9CI)
CAS Number:
137659-64-4
Molecular Formula:
C5H13N2O4P
Molecular Weight:
196.1415
IUPAC Name:
(4-hydroxypiperazin-1-yl)methylphosphonic acid
InChI:
InChI=1S/C5H13N2O4P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h8H,1-5H2,(H2,9,10,11)
InChI Key:
LKPPHWCSVDVUNM-UHFFFAOYSA-N
SMILES:
ON1CCN(CC1)CP(=O)(O)O

Properties

Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.061g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
196.143g/mol
Monoisotopic Mass:
196.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4  

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