AG00BFC0

21913-98-4 | 3''-METHOXYDAIDZEIN

AG00BFC0

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CAS Number	21913-98-4
Catalog Number	AG00BFC0(AGN-PC-0LPZFV)
Chemical Name	3''-METHOXYDAIDZEIN
IUPAC Name	7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
InChI	InChI=1S/C16H12O5/c1-20-15-6-9(2-5-13(15)18)12-8-21-14-7-10(17)3-4-11(14)16(12)19/h2-8,17-18H,1H3
InChI Key	MUYAUELJBWQNDH-UHFFFAOYSA-N
MDL Number	MFCD00210529
Molecular Formula	C16H12O5
Molecular Weight	284.2635
SMILES	C1OC2=CC(O)=CC=C2C(=O)C=1C1=CC=C(O)C(OC)=C1
Synonyms	3'-Methoxydaidzein, 21913-98-4, CHEBI:65780, 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one, AC1NSY21, CHEMBL450602, SCHEMBL2069826, DTXSID30176328, ZINC5999157, LMPK12050057, 4',7-dihydroxy-3'-methoxyisoflavone, 7,4'-dihydroxy-3'-methoxyisoflavone, AKOS025288163, Isoflavone, 4',7-dihydroxy-3'-methoxy-, 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-, 4H-1-Benzopyran-4-one,7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-, 3/'-Methoxydaidzein, CID5319422,

Complexity	432
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.068g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	284.267g/mol
Monoisotopic Mass	284.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	76A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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