AG005DSG

75187-63-2 | 4H-1-Benzopyran-4-one,7,8-dihydroxy-3-(4-hydroxyphenyl)-

AG005DSG

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CAS Number	75187-63-2
Catalog Number	AG005DSG(AGN-PC-0LQV42)
Chemical Name	4H-1-Benzopyran-4-one,7,8-dihydroxy-3-(4-hydroxyphenyl)-
IUPAC Name	7,8-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
InChI Key	BMZFZTMWBCFKSS-UHFFFAOYSA-N
MDL Number	MFCD00885567
Molecular Formula	C15H10O5
Molecular Weight	270.2369
NSC Number	678112
SMILES	OC1=C(C2=C(C(C(=CO2)C2=CC=C(C=C2)O)=O)C=C1)O
Synonyms	4',7,8-trihydroxyisoflavone, 7,8,4'-Trihydroxyisoflavone, 8-Hydroxydaidzein, 75187-63-2, 4',7,8-Trihydroxyisoflavone, 7,8-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one, 7,8-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one, 7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, NSC678112, CHEMBL242739, NSC 678112, 4H-1-Benzopyran-4-one, 7,8-dihydroxy-3-(4-hydroxyphenyl)-, 7,4'-Trihydroxyisoflavone, AC1NV1M1, SCHEMBL571127, 4'',7,8-trihydroxyisoflavone, 7,8,4''-trihydroxyisoflavone, CTK5E1244, DTXSID20226169, BMZFZTMWBCFKSS-UHFFFAOYSA-N, ZINC6093399, BDBM50209568, LMPK12050137, MFCD00885567, AKOS015996514, 7,8,4-trihydroxyisoflavone AldrichCPR, NSC-678112, 7,8,4'-trihydroxyisoflavone, AldrichCPR, AN-37020, CC-23047, OR015000, DB-004234, FT-0731926, 187D632, C-35503, 7,8-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 7,8-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 9CI, D09FDZ, C15-H10-O5, CID5466139, 7,8-DIHYDROXY-3- -CHROMEN-4-ONE, 4H-1-Benzopyran-4-one,7,8-dihydroxy-3-(4-hydroxyphenyl)-, 7,8-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-one, 98% - 1G 1g,

Complexity	411
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.053g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	270.24g/mol
Monoisotopic Mass	270.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number