AG00BHYL

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CAS Number	3044-60-8
Catalog Number	AG00BHYL(AGN-PC-0R5SNT)
Chemical Name	Toxicarolisoflavone
IUPAC Name	5-hydroxy-8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-h]chromen-4-one
InChI	InChI=1S/C23H22O7/c1-23(2)7-6-12-17(30-23)9-15(24)20-21(25)14(11-29-22(12)20)13-8-18(27-4)19(28-5)10-16(13)26-3/h6-11,24H,1-5H3
InChI Key	WNIRAQXHOVJVDB-UHFFFAOYSA-N
MDL Number	MFCD00238696
Molecular Formula	C23H22O7
Molecular Weight	410.4166
SMILES	C12=CC(O)=C3C(=O)C(C4=CC(OC)=C(OC)C=C4OC)=COC3=C1C=CC(C)(C)O2
Synonyms	Toxicarolisoflavone, Toxicarol isoflavone, 3044-60-8, CTK8I1080, HY-N1135, ZINC2561275, LMPK12050313, CS-8192, 4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one,5-hydroxy-8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-,

Complexity	714
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	410.137g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	410.422g/mol
Monoisotopic Mass	410.137g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	83.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited