AG0022DU

18085-97-7 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-

AG0022DU

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CAS Number	18085-97-7
Catalog Number	AG0022DU(AGN-PC-0QBWA9)
Chemical Name	4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-
IUPAC Name	5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one
InChI	InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3
InChI Key	GLAAQZFBFGEBPS-UHFFFAOYSA-N
MDL Number	MFCD01081948
Molecular Formula	C17H14O7
Molecular Weight	330.2889
SMILES	COC1=C(O)C=CC(=C1)C1=CC(=O)C2=C(O)C(OC)=C(O)C=C2O1
Synonyms	jaceosidin, Jaceosidin, 18085-97-7, 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one, 4',5,7-Trihydroxy-3',6-dimethoxyflavone, CHEBI:66103, AK101903, Q-100215, 5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, JACEOSIDINE, AC1NTE3G, CHEMBL487601, SCHEMBL3960077, BDBM84984, CTK4D7727, DTXSID00171022, GLAAQZFBFGEBPS-UHFFFAOYSA-N, BCP10203, HY-N0831, 9484AA, ANW-62561, LMPK12111235, MFCD01081948, SC3961, ZINC14779854, AKOS015917411, AC-7927, 4,5,7-Trihydroxy-3,6-dimethoxyflavone, 4CN-3058, AJ-65365, AB0088285, AX8233442, TC-151306, CS-0009862, FT-0686647, N2160, ST24044114, TL80090009, A12080, 085T977, I14-9712, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one, 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one #, 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-Benzopyran-4-one, C17H14O7, ACN-046359, AN-1043, C17-H14-O7, CB11828, CID5379096, C477508,

Complexity	505
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	330.074g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	330.292g/mol
Monoisotopic Mass	330.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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