Ethanone, 1-(2,4,6-trihydroxyphenyl)-, monohydrate


Chemical Name: Ethanone, 1-(2,4,6-trihydroxyphenyl)-, monohydrate
CAS Number: 249278-28-2
Product Number: AG002PW5(AGN-PC-0KKWNV)
Synonyms:
MDL No: MFCD00149091
Molecular Formula: C8H10O5
Molecular Weight: 186.1620

Identification/Properties


Properties
MP:
219-221 °C(lit.)
BP:
333.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
186.163g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
186.053g/mol
Monoisotopic Mass:
186.053g/mol
Topological Polar Surface Area:
78.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
168
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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