AG003QYK

5950-69-6 | 2,2'-Dihydroxy-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone dihydrate

AG003QYK

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CAS Number	5950-69-6
Catalog Number	AG003QYK(AGN-PC-0SSIAU)
Chemical Name	2,2'-Dihydroxy-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone dihydrate
IUPAC Name	2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-oxoinden-2-yl)inden-1-one
InChI	InChI=1S/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H
InChI Key	QHVADKNWNMILPQ-UHFFFAOYSA-N
MDL Number	MFCD00003781
Molecular Formula	C18H14O8
Molecular Weight	358.2990
NSC Number	108697
SMILES	O=C1C=2C=CC=CC2C(O)(O)C1(O)C3(O)C(=O)C=4C=CC=CC4C3(O)O
Synonyms	Hydrindantin, anhydrous, 5950-69-6, NSC108697, EINECS 227-713-1, NSC 108697, BRN 1895666, 2,2',3,3,3',3'-Hexahydroxy-2,2'-bisindan-1,1'-dione, [2,2'-Bi-1H-indene]-1,1'-dione, 2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy-, (2,2'-Bi-1H-indene)-1,1'-dione, 2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy-, [2,2'-Biindan]-1,1'-dione, 2,2',3,3,3',3'-hexahydroxy-, 2,3,3-trihydroxy-2-(2,3,3-trihydroxy-1-oxoindan-2-yl)indan-1-one, (2,2'-BIINDAN)-1,1'-DIONE, 2,2',3,3,3',3'-HEXAHYDROXY-, NSC-108697, Anhydrous hydrindantin, Oprea1_309442, cid_22232, SCHEMBL8371904, CHEMBL1604699, BDBM32230, CTK5B0060, DTXSID20884203, QHVADKNWNMILPQ-UHFFFAOYSA-N, 2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-oxoinden-2-yl)inden-1-one, SBB006499, AKOS015898161, MCULE-6778230498, LS-43978, NCI60_000206, ST056361, FT-0627119, [2,1'-dione, 2,2',3,3,3',3'-hexahydroxy-, WLN: L56 BVT&J CQ DQ DQ C- CL56 BVT&J CQ DQ DQ, (2,2'-Biindan)-1,1',3,3'-tetrone, 2,2'-dihydroxy-, 1,1'-dihydrate, [2,1'-dione, 2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy-, 2,2-Dihydroxy-1H,1H-[2,2-biindene]-1,1,3,3(2H,2H)-tetraone dihydrate, 2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-keto-indan-2-yl)indan-1-one, 2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-oxo-2-indenyl)-1-indenone, (2,2'-Biindan)-1,1',3,3'-tetrone, 2,2'-dihydroxy-, 1,1'-dihydrate (7CI), [2,2'-Bi-1H-indene]-1,1'-dione,2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy-, 2,2',3,3,3',3'-hexahydroxy-2,2',3,3'-tetrahydro-1H,1'H-2,2'-biindene-1,1'-dione, 2,3,3-tris(oxidanyl)-2-[1,1,2-tris(oxidanyl)-3-oxidanylidene-inden-2-yl]inden-1-one, Hydrindantin dihydrate, AC1L2JZW, C18H14O8, CID22232, C18-H14-O8, I10-1512, 2,2',3,3,3',3'-Hexahydroxy-2,2'-biindan-1,1'-dione,

Complexity	602
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	358.068867g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	358.3g/mol
Monoisotopic Mass	358.068867g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	156Ų
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number