7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one


Chemical Name: 7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
CAS Number: 41060-15-5
Product Number: AG00C6JE(AGN-PC-0LPZNK)
Synonyms:
MDL No: MFCD00800660
Molecular Formula: C20H18O4
Molecular Weight: 322.3545

Identification/Properties


Properties
MP:
195-196℃
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
322.36g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
322.121g/mol
Monoisotopic Mass:
322.121g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
532
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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