Ethanone, 1-(2,3,4-trihydroxyphenyl)-


Chemical Name: Ethanone, 1-(2,3,4-trihydroxyphenyl)-
CAS Number: 528-21-2
Product Number: AG003FE9(AGN-PC-0JK9NV)
Synonyms:
MDL No:
Molecular Formula: C8H8O4
Molecular Weight: 168.1467

Identification/Properties


Properties
MP:
169-172 °C(lit.)
BP:
398.1°C at 760 mmHg
Storage:
Room Temperature;Keep in dry area;
Form:
Solid
Refractive Index:
1.5090 (estimate)
Computed Properties
Molecular Weight:
168.148g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
168.042g/mol
Monoisotopic Mass:
168.042g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
180
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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