AG0036ZG

6151-25-3 | 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate

AG0036ZG

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CAS Number	6151-25-3
Catalog Number	AG0036ZG(AGN-PC-0T0NDG)
Chemical Name	2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate
IUPAC Name	2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate
InChI	InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2
InChI Key	GMGIWEZSKCNYSW-UHFFFAOYSA-N
MDL Number	MFCD03847906
Molecular Formula	C15H14O9
Molecular Weight	338.2663
SMILES	O.O.OC=1C=C(C=CC1O)C=1OC2=CC(=CC(=C2C(C1O)=O)O)O
UNII	53B03V78A6
Synonyms	Quercetin dihydrate, 6151-25-3, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate, MFCD00149487, Quercetine dihydrate, Quercetin, Dihydrate, CCRIS 3304, UNII-53B03V78A6, 3,3',4',5,7-Pentahydroxyflavone dihydrate, Quercetin dihydrate (Sophoretin), Flavone, 3,3',4',5,7-pentahydroxy-, dihydrate, 53B03V78A6, NCGC00017056-01, AK101905, CAS-6151-25-3, DSSTox_CID_1219, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one dihydrate, 3,3′,4′,5,7-Pentahydroxyflavone, DSSTox_RID_76018, DSSTox_GSID_21219, C15H14O9, Quercetin,(S), Prestwick_541, PubChem19976, ACMC-20a8z6, AC1NR4H7, SCHEMBL22103, BMK1-G2, KSC919I6H, Quercetin-dihydrate(Sophoretin), CHEMBL1520590, DTXSID9021219, Quercetin dihydrate - Sophoretin, CTK8B9463, BIK9012, HMS1569F15, HMS2096F15, HMS3403F09, HMS3656A09, BCP07318, KS-00000Q7H, ZX-AT015955, Tox21_110761, Tox21_201150, 3,3 ,4 ,5,7-Pentahydroxyflavone, ANW-62560, GP1387, s2347, SBB058176, 2-(3,4-dihydroxyphenyl)-3,5,7-, AKOS004910448, Tox21_110761_1, trihydroxy-4H-chromen-4-one dihydrate, CCG-208320, LS-1471, NUT0000108, OR17030, RTR-021187, TRA0050187, NCGC00015870-27, NCGC00258702-01, AS-13663, H655, AB0013168, AX8233444, FT-0082527, FT-0601606, ST24021688, ST50309238, SW148203-5, J10072, A833274, I06-0267, F0001-1629, QUERCETIN DIHYDRATE (SEE ALSOQUERCETIN (117-39-5)), 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one dihydrate, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one dihydrate, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, hydrate, hydrate, 2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one dihydrate, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, oxamethane, oxamethane, Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin, 6151-25-3, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one Dihydrate (Quercetin Dihydrate), Xanthaurine, Quercetine, Quercetol, Quercitin, Sophoretin, Meletin, quercetin, Quercetindihydrate, QUERCITRIN DIHYDRATE, Quercetin dihydrate, 97% 25g, C15H10O7.2H2O, RW1342, ACN-040191, C15-H10-O7.2H2-O, CID5284452, CS-O-11728, A10765, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-onedihydrate, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, dihydrate, 106-44-5,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	338.064g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	338.268g/mol
Monoisotopic Mass	338.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310+P330-P405-P501
UN Code	UN 2811

Certificate of Analysis

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