3-Methylflavone-8-carboxylic Acid Acyl-β-D-glucuronide


Chemical Name: 3-Methylflavone-8-carboxylic Acid Acyl-β-D-glucuronide
CAS Number: 60218-13-5
Product Number: AG00EFEJ(AGN-PC-0WAIIL)
Synonyms:
MDL No:
Molecular Formula: C23H20O10
Molecular Weight: 456.3989

Identification/Properties


Computed Properties
Molecular Weight:
456.403g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
5
Exact Mass:
456.106g/mol
Monoisotopic Mass:
456.106g/mol
Topological Polar Surface Area:
160A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
816
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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