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1,4-butanediphosphonic acid

Catalog Number
ACM4671776-2
CAS Number
4671-77-6
Product Name
1,4-butanediphosphonic acid
Structure
Category
Other MOF Linkers
Synonyms
Butane-1,4-diphosphonic acid; 1,4-Diphosphonobutane
IUPAC Name
4-phosphonobutylphosphonic acid
Molecular Weight
218.08
Molecular Formula
C4H12O6P2
InChI
InChI=1S/C4H12O6P2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H2,5,6,7)(H2,8,9,10)
InChI Key
JKTORXLUQLQJCM-UHFFFAOYSA-N
Boiling Point
219-221 °C
Melting Point
219-221 °C
Purity
97%
Complexity
190
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
218.01091209g/mol
Formal Charge
0
Heavy Atom Count
12
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
4
Isotope Atom Count
0
Monoisotopic Mass
218.01091209g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
115Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-2.7
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