AG001L2V

1486-70-0 | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-

AG001L2V

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CAS Number	1486-70-0
Catalog Number	AG001L2V(AGN-PC-0Q26Z2)
Chemical Name	4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-
IUPAC Name	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
InChI	InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3
InChI Key	WEPBGSIAWZTEJR-UHFFFAOYSA-N
MDL Number	MFCD02940500
Molecular Formula	C16H12O7
Molecular Weight	316.2623
NSC Number	154016
SMILES	O=C1C(OC)=C(C2=CC=C(O)C(O)=C2)OC3=C1C(O)=CC(O)=C3
UNII	7J92C373RH
Synonyms	3,4',5,7-tetrahydroxy-3'-methoxy-flavone, 3,4',5,7-tetrahydroxy-3'-methoxyflavone, 3-methyl-quercetin, 3-methylquercetin, 3-O-methylquercetin, iso-rhamnetin, isorhamnetin, isorhamnetine, 3-O-Methylquercetin, 1486-70-0, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one, Quercetin 3-methyl ether, Quercetin 3-O-methyl ether, 3',4',5,7-Tetrahydroxy-3-methoxyflavone, 3-Methylquercetol, NSC 154016, Quercetin-3-O-methyl ether, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one, UNII-7J92C373RH, CHEMBL163316, CHEBI:16860, 7J92C373RH, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-, NSC-154016, 3-Methoxy-5,7,3',4'-tetrahydroxyflavone, 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-, 3-Methoxy quercetin, Quercetin-3-methylether, Quercetin-3-methyl ether, 3-O-Methyl Quercetin, AC1NQXEZ, Flavone, 3',4',5,7-tetrahydroxy-3-methoxy-, Oprea1_264124, MLS000877018, Quercetin - 3 - methylether, SCHEMBL380558, 3-O-MQ, MEGxp0_000771, ACon1_000818, cid_5280681, CTK4C5884, DTXSID20164032, HMS2271J03, TNP00037, ZINC5998596, ANW-53715, BDBM50240896, LMPK12112729, MFCD00210588, NSC154016, AKOS015999072, MCULE-9916808788, TRA0023515, 3-O-Methylquercetin, >=97% (HPLC), NCGC00017391-01, NCGC00017391-02, NCGC00017391-03, NCGC00142365-01, 4CN-1359, AJ-55456, AK-88801, Flavone,4',5,7-tetrahydroxy-3-methoxy-, SMR000440662, 3-Methoxy-3',4',5,7-tetrahydroxyflavone, 5,7,3',4'-Tetrahydroxy-3-methoxyflavone, AX8081509, ST2403857, TC-142460, FT-0672191, W1665, 3'',4'',5,7-tetrahydroxy-3-methoxyflavone, 3',4',5',7'-Tetrahydroxy-3-methoxyflavone, 5,7,3' ,4' -Tetrahydroxy-3-methoxyflavone, C04443, tetrahydroxy-3-methoxyflavone, 3',4',5,7-(rg), 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one, 2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one, 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-, 2-(3,4-dihydroxyphenyl)-3-methoxy-5,7-dihydroxy-4h-1-benzopyran-4-one, 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-1-benzopyran-4-one), 5,7,3 inverted exclamation marka ,4 inverted exclamation marka -Tetrahydroxy-3-methoxyflavone, 3-Methylquercetin, 3-MQ cpd, D0L9EF, C16H12O7, C16-H12-O7, CID5280681, C452870, 1195659-35-8,

Complexity	503
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.058g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	316.265g/mol
Monoisotopic Mass	316.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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