4-phosphonobutylphosphonic acid


Chemical Name: 4-phosphonobutylphosphonic acid
CAS Number: 4671-77-6
Product Number: AG00D7Y2(AGN-PC-0JR99A)
Synonyms:
MDL No:
Molecular Formula: C4H12O6P2
Molecular Weight: 218.0820

Identification/Properties


Properties
MP:
219-221 °C
Form:
Solid
Computed Properties
Molecular Weight:
218.082g/mol
XLogP3:
-2.7
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
218.011g/mol
Monoisotopic Mass:
218.011g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H314-H290
Precautionary Statements:
P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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