1-Propanone, 1-(1,3-benzodioxol-5-yl)-


Chemical Name: 1-Propanone, 1-(1,3-benzodioxol-5-yl)-
CAS Number: 28281-49-4
Product Number: AG003BAR(AGN-PC-0JM1EW)
Synonyms:
MDL No:
Molecular Formula: C10H10O3
Molecular Weight: 178.1846

Identification/Properties


Properties
MP:
34-36 °C
BP:
306.4 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
178.187g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
178.063g/mol
Monoisotopic Mass:
178.063g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
202
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


NMR Spectrum


Other Analytical Data


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