2,4-Pentanedione, 3-phenyl-


Chemical Name: 2,4-Pentanedione, 3-phenyl-
CAS Number: 5910-25-8
Product Number: AG003JVC(AGN-PC-0JOARN)
Synonyms:
MDL No:
Molecular Formula: C11H12O2
Molecular Weight: 176.21178

Identification/Properties


Properties
MP:
56°C
BP:
126-128°C 15mm
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
176.215g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
176.084g/mol
Monoisotopic Mass:
176.084g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
188
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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