AG003IE8

52479-85-3 | (2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone

AG003IE8

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CAS Number	52479-85-3
Catalog Number	AG003IE8(AGN-PC-0JKRGR)
Chemical Name	(2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone
EC Number	257-945-9
IUPAC Name	(2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
InChI	InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
InChI Key	XEDWWPGWIXPVRQ-UHFFFAOYSA-N
MDL Number	MFCD00082966
Molecular Formula	C13H10O7
Molecular Weight	278.2143
NSC Number	680919
SMILES	O=C(C1=CC=C(O)C(O)=C1O)C2=CC(O)=C(O)C(O)=C2
UNII	38K9TOD4EG
Synonyms	Adlone, exifone, hexahydro-2,3,4,3',4',5'-benzophenone, EXIFONE, 52479-85-3, 2,3,3',4,4',5'-Hexahydroxybenzophenone, Adlone, (2,3,4-Trihydroxyphenyl)(3,4,5-trihydroxyphenyl)methanone, 4-Galloylpyrogallol, Exifone [INN], Exifonum [INN-Latin], Exifona [INN-Spanish], UNII-38K9TOD4EG, (2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone, EINECS 257-945-9, NSC 680919, BRN 3401917, 38K9TOD4EG, NSC680919, Methanone, (2,3,4-trihydroxyphenyl)(3,4,5-trihydroxyphenyl)-, DSSTox_CID_24950, DSSTox_RID_80610, DSSTox_GSID_44950, W-105820, Exifona, Exifonum, CAS-52479-85-3, hexahydro-2,3,4,3',4',5'-benzophenone, ACMC-1AL9V, AC1L23NI, Polyhydroxy benzophenone, 10, 3-08-00-04364 (Beilstein Handbook Reference), SCHEMBL273096, CHEMBL329522, DTXSID9044950, CTK7F6798, CHEBI:125609, XEDWWPGWIXPVRQ-UHFFFAOYSA-N, BDBM234394, KS-000012OD, ZINC3775294, Tox21_113656, Tox21_201450, Tox21_303559, ANW-31471, MFCD00082966, AKOS015904176, CCG-208095, KS-5168, NSC-680919, VZ22066, 2,3,3',4,4'-Hexahydrobenzoxyphenone, 2,3,3,4,4,5-Hexahydroxybenzophenone, NCGC00249050-01, NCGC00249050-02, NCGC00257438-01, NCGC00259001-01, 72841-23-7, AJ-45569, AN-41029, CC-06575, LS-91331, AX8014551, DB-019631, TC-120216, 3,4,5,4',5',6'-hexahydroxy benzophenone, FT-0614115, 2,3,3\',4,4\',5\'-Hexahydroxybenzophenone, 479H853, A829106, C-17491, SR-01000944884, SR-01000944884-1, BRD-K65716359-001-01-3, [2,3,4-trihydroxyphenyl] [3',4',5'-trihydroxyphenyl] methanone, [2,3,4-tris(oxidanyl)phenyl]-[3,4,5-tris(oxidanyl)phenyl]methanone, C13H10O7, CID40399, C13-H10-O7, 2,3,4,3',4',5'-Hexahydroxybenzophenon, 3,4,5,2',3',4'-Hexahydroxybenzophenone, H1065, C052932,

Complexity	349
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	278.043g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	278.216g/mol
Monoisotopic Mass	278.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

Lot Number