4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-


Chemical Name: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-
CAS Number: 117-39-5
Product Number: AG00366R(AGN-PC-03D0U3)
Synonyms:
MDL No:
Molecular Formula: C15H10O7
Molecular Weight: 302.2357

Identification/Properties


Properties
MP:
314-317 °C
BP:
642.4 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.4790 (estimate)
Computed Properties
Molecular Weight:
302.238g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
302.043g/mol
Monoisotopic Mass:
302.043g/mol
Topological Polar Surface Area:
127A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
488
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P264-P270-P301+P310+P330-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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