AG003U1M

81-54-9 | 1,2,4-Trihydroxyanthracene-9,10-dione

AG003U1M

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CAS Number	81-54-9
Catalog Number	AG003U1M(AGN-PC-0WAFXP)
Chemical Name	1,2,4-Trihydroxyanthracene-9,10-dione
EC Number	201-359-8
IUPAC Name	1,2,4-trihydroxyanthracene-9,10-dione
InChI	InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChI Key	BBNQQADTFFCFGB-UHFFFAOYSA-N
MDL Number	MFCD00001203
Molecular Formula	C14H8O5
Molecular Weight	256.2103
NSC Number	10447
SMILES	O=C1C2=C(C=CC=C2)C(C3=C(O)C=C(O)C(O)=C13)=O
UNII	L1GT81LS6N
Synonyms	1,2,4-trihydroxy-9,10-anthracenedione, 1,2,4-trihydroxy-9,10-anthraquinone, 1,2,4-trihydroxyanthraquinone, purpurin, purpurin, madder root, PURPURIN, 81-54-9, 1,2,4-Trihydroxyanthraquinone, Purpurine, Verantin, Hydroxylizaric acid, Smoke Brown G, 1,2,4-trihydroxyanthracene-9,10-dione, 1,2,4-Trihydroxy-9,10-anthracenedione, 1,2,4-Trihydroxy-9,10-anthraquinone, 1,2,4-Trihydroxyanthrachinon, C.I. 58205, 9,10-Anthracenedione, 1,2,4-trihydroxy-, 1,2,4-Trihydroxyanthra-9,10-quinone, Anthraquinone, 1,2,4-trihydroxy-, UNII-L1GT81LS6N, C.I. 75410, CCRIS 3527, CHEBI:8645, C.I. 1037, EINECS 201-359-8, NSC 10447, 1,2,4-Trihydroxyanthrachinon [Czech], BRN 1887127, L1GT81LS6N, MLS002473304, Purpurin (C.I. 58205), 1,2,4-Trihydroxy-Anthraquinone, BBNQQADTFFCFGB-UHFFFAOYSA-N, NSC10447, MFCD00001203, AK405332, SMR001306802, purpurin, madder root, Alizarin purpurin, Purpurin(e), 4-Hydroxyalizarin, C.I. Natural Red 8, Spectrum2_000037, Spectrum3_001947, C.I. Natural Red 16, DSSTox_CID_1214, 1,4-Trihydroxyanthrachinon, Epitope ID:116185, NCIMech_000036, 1,4-Trihydroxyanthraquinone, AC1L1N2S, cid_6683, 9, 1,2,4-trihydroxy-, DSSTox_RID_76013, DSSTox_GSID_21214, SCHEMBL33871, BSPBio_003547, 4-08-00-03568 (Beilstein Handbook Reference), hsp90_173, MLS002207287, SPECTRUM1505300, Purpurin, Dye content 90 %, SPBio_000133, Anthraquinone,2,4-trihydroxy-, CHEMBL294264, DTXSID4021214, BDBM67454, CTK8B4080, KBio3_002835, HMS2232F04, HMS3374D11, ZINC3861633, ZX-AT016169, Tox21_301526, 1,4-Trihydroxy-9,10-anthraquinone, 6256AF, ANW-43819, BBL027328, CCG-35463, GT4917, NSC-10447, SBB006444, STK396669, AKOS001482720, 4,9,10-trihydroxy-1,2-anthraquinone, API0003984, MCULE-4728464964, SDCCGMLS-0066870.P001, CAS-81-54-9, KS-0000128Y, NCGC00095346-01, NCGC00095346-02, NCGC00095346-03, NCGC00255399-01, WLN: L C666 BV IVJ DQ EQ GQ, LS-20715, NCI60_000107, ST055354, 1,2,4-Trihydroxyanthra-9,10-quinone #, TR-025626, 1,2,4-tris(oxidanyl)anthracene-9,10-dione, EU-0000318, FT-0699020, P0605, A-8888, C10395, Purpurin, for spectrophotometric det. (of B, Pb), SR-05000002508, 9,10-Anthracenedione, 1,2,4-trihydroxy- (9CI), Purpurin - CASMI2016 Category 1 - Challenge 18, SR-05000002508-1, I14-46575, 9TF, InChI=1/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19, D0XJ7I, 1,2,4-trihydroxyanthraquinon, C14H8O5, CID6683, C14-H8-O5, ACN-056764, Purpurin, 85%, for analysis - 25G 25g, C410870, C511975, PR,

Complexity	407
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.037g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	256.213g/mol
Monoisotopic Mass	256.037g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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

Lot Number