4-Pyridinecarboxaldehyde,3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, hydrate (1:?)


Chemical Name: 4-Pyridinecarboxaldehyde,3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-, hydrate (1:?)
CAS Number: 853645-22-4
Product Number: AG004U25(AGN-PC-0V03L7)
Synonyms:
MDL No:
Molecular Formula: C8H12NO7P
Molecular Weight: 265.1571

Identification/Properties


Properties
MP:
140-143 ºC
BP:
565.746°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
247.143g/mol
XLogP3:
-1.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
247.025g/mol
Monoisotopic Mass:
247.025g/mol
Topological Polar Surface Area:
117A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
292
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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