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2,5-Dihydroxy-1,4-benzenediphosphonic acid

Catalog Number
ACM91633168
CAS Number
91633-16-8
Product Name
2,5-Dihydroxy-1,4-benzenediphosphonic acid
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
1,4-dihydroxy-2,5-benzenediphosphonic acid; (2,5-DIHYDROXY-4-PHOSPHONO-PHENYL)PHOSPHONIC ACID;
IUPAC Name
(2,5-dihydroxy-4-phosphonophenyl)phosphonic acid
Molecular Weight
270.07
Molecular Formula
C6H8O8P2
InChI
InChI=1S/C6H8O8P2/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14/h1-2,7-8H,(H2,9,10,11)(H2,12,13,14)
InChI Key
OOQKJCSMVDNOHI-UHFFFAOYSA-N
Purity
98 % (31P NMR)
Complexity
310
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
269.96944120g/mol
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
6
Isotope Atom Count
0
Length
10-30 um
Monoisotopic Mass
269.96944120g/mol
Rotatable Bond Count
2
SSA
>150m2/g
Topological Polar Surface Area
156Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-1.6
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