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6145-31-9

6145-31-9 | 1,2-ETHYLENEDIPHOSPHONIC ACID

CAS No: 6145-31-9 Catalog No: AG003DF9 MDL No:MFCD00013958

Product Description

Catalog Number:
AG003DF9
Chemical Name:
1,2-ETHYLENEDIPHOSPHONIC ACID
CAS Number:
6145-31-9
MDL Number:
MFCD00013958
IUPAC Name:
2-phosphonoethylphosphonic acid
InChI:
InChI=1S/C2H8O6P2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)
InChI Key:
XYJLPCAKKYOLGU-UHFFFAOYSA-N
NSC Number:
40837

Properties

Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.98g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
190.028g/mol
Monoisotopic Mass:
189.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4  

Literature

Title Journal
Synthesis of lipid II phosphonate analogues. Carbohydrate research 20110906
Cofactor-type inhibitors of inosine monophosphate dehydrogenase via modular approach: targeting the pyrophosphate binding sub-domain. Bioorganic & medicinal chemistry 20110301
A tetrahedrally coordinated cobalt(II) phosphonate with a three-dimensional framework containing two-dimensional channels. Acta crystallographica. Section C, Crystal structure communications 20070801
A lithium ethylenediphosphonate containing lithium chains and symmetric hydrogen bonds. Acta crystallographica. Section C, Crystal structure communications 20060801
Structural diversity of the oxovanadium organodiphosphonate system: a platform for the design of void channels. Inorganic chemistry 20060417
Pillared layered structures based upon M(III) ethylene diphosphonates: the synthesis and crystal structures of M(III)(H(2)O)(HO(3)P(CH(2))(2)PO(3)) (M = Fe, Al, Ga). Inorganic chemistry 20050725
New pillared layered gallium phosphonates in the gallium/1,2-ethylenediphosphonic acid system. Inorganic chemistry 20011217
Ethane-1,2-diphosphonic acid as a building block in supramolecular chemistry; a pillared-layer framework and framework-encapsulated cations. Acta crystallographica. Section B, Structural science 20010201

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