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84696-98-0 | POTASSIUM TRIHYDROGEN [[(2-HYDROXYETHYL)IMINO]BIS(METHYLENE)]BISPHOSPHONATE
CAS No: 84696-98-0 Catalog No: AG004PMN MDL No:
Product Description
Catalog Number:
AG004PMN
Chemical Name:
POTASSIUM TRIHYDROGEN [[(2-HYDROXYETHYL)IMINO]BIS(METHYLENE)]BISPHOSPHONATE
CAS Number:
84696-98-0
Molecular Formula:
C4H12KNO7P2
Molecular Weight:
287.1864
IUPAC Name:
potassium;hydroxy-[[2-hydroxyethyl(phosphonomethyl)amino]methyl]phosphinate
InChI:
InChI=1S/C4H13NO7P2.K/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-1
InChI Key:
WYKWZJZIPWFAFX-UHFFFAOYSA-M
SMILES:
OCCN(CP(=O)(O)O)CP(=O)(O)[O-].[K+]
EC Number:
283-706-3
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.973g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
287.186g/mol
Monoisotopic Mass:
286.973g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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