2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodiumsalt


Chemical Name: 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodiumsalt
CAS Number: 129-06-6
Product Number: AG003I60(AGN-PC-0PIW5S)
Synonyms:
MDL No:
Molecular Formula: C19H16NaO4
Molecular Weight: 331.3177

Identification/Properties


Properties
MP:
>201°C (subl.)
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
330.315g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
330.087g/mol
Monoisotopic Mass:
330.087g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
508
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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