AG0037FB

478-43-3 | 1,8-DIHYDROXY-3-CARBOXYANTHRAQUINONE

AG0037FB

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CAS Number	478-43-3
Catalog Number	AG0037FB(AGN-PC-07Y4VJ)
Chemical Name	1,8-DIHYDROXY-3-CARBOXYANTHRAQUINONE
EC Number	207-521-4
IUPAC Name	4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
InChI	InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
InChI Key	FCDLCPWAQCPTKC-UHFFFAOYSA-N
MDL Number	MFCD00009618
Molecular Formula	C15H8O6
Molecular Weight	284.2204
NSC Number	38629
SMILES	OC1=CC(=CC=2C(C3=CC=CC(=C3C(C12)=O)O)=O)C(=O)O
UNII	YM64C2P6UX
Synonyms	1,8-dihydroxy-3-carboxyl-9,10-anthraquinone, 4,5-dihydroxyanthraquinone-2-carboxylic acid, dipropionyl rhein, rhein, Rhein, 478-43-3, Monorhein, Rheic acid, Rhubarb Yellow, Cassic acid, 4,5-Dihydroxyanthraquinone-2-carboxylic acid, Chrysazin-3-carboxylic acid, Rheinic acid, NSC 38629, 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, 1,8-Dihydroxy-3-carboxyanthraquinone, 1,8-Dihydroxyanthraquinone-3-carboxylic acid, dipropionyl rhein, Rhein(Monorhein), UNII-YM64C2P6UX, 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid, 2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, CCRIS 5129, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, C15H8O6, EINECS 207-521-4, MFCD00009618, Rhein (1,8-dihydroxy-3-carboxyl anthraquinone), BRN 2222155, YM64C2P6UX, MLS000069639, CHEBI:8825, 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, 4,5-Dihydroxy-2-anthraquinonecarboxylic acid, 4,5-DiOH-anthraquinone-2-COOH, FCDLCPWAQCPTKC-UHFFFAOYSA-N, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid, SMR000058210, ST057726, 1,8-DIHYDROXY-3-CARBOXYL ANTHRAQUINONE, 4,5-dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid, Rhein - Monorhein, RHN, Rhein,(S), Rhein; Rhubarb Yellow, Rhein, technical grade, 4ie7, ACMC-209kan, regid855879, DSSTox_CID_6000, Rhein, analytical standard, 1,8-dihydroxy-3-carboxyl-9,10-anthraquinone, AC1L1UN2, AC1Q6JR6, AC1Q73QF, DSSTox_RID_77984, DSSTox_GSID_26000, SCHEMBL25253, US9238626, Rhein, 4-10-00-04088 (Beilstein Handbook Reference), cid_10168, MLS006011744, CHEMBL418068, MEGxp0_001866, DTXSID4026000, ACon1_000217, BDBM32021, CTK4J0379, KS-00000NFX, ACT03257, BCP28202, HY-N0105, NSC38629, ZINC4098704, Tox21_201098, AN-712, ANW-30573, BBL009695, CR-006, CR0016, LMPK13040015, LS-129, NSC-38629, s2400, SBB001152, STL141046, AKOS005259272, AC-7978, ACN-035339, CS-5239, DB13174, MCULE-1248137705, RL03785, RTR-031414, NCGC00018199-01, NCGC00018199-02, NCGC00018199-03, NCGC00018199-04, NCGC00018199-05, NCGC00018199-06, NCGC00018199-07, NCGC00023342-03, NCGC00023342-04, NCGC00258650-01, AJ-48017, AK-88490, AM807834, AS-11635, CAS-478-43-3, SC-25777, SY051290, AB0010467, ST2405253, TR-031414, D3986, FT-0645050, N1810, 4, 5-Dihydroxyanthraquinone-2-carboxylic acid, MFCD00009618 (95%), 2-Anthraquinonecarboxylic acid, 4,5-dihydroxy-, 78R433, C10401, X-4365, 478-43-3,202053-60-9(monosodiumsalt), I14-1414, Q-100512, 4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, BRD-K27335680-001-01-9, 2-Anthroic acid,10-dihydro-4,5-dihydroxy-9,10-dioxo-, 4,5-dihydroxy-9,10-diketo-anthracene-2-carboxylic acid, 2-Anthracenecarboxylic acid,10-dihydro-4,5-dihydroxy-9,10-dioxo-, 2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo- (8CI), 4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid, 4,5-Dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid #, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracene carboxylic acid, 9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid, 9CI, Monorhein, NSC 38629, Rheic acid, Rheinic acid, Rhubarb yellow, 478-43-3, Parietic acid, D0M2TY, Rhein, 98% - 1G 1g, CID10168, Sid 17388745, AR-1F8387, C15-H8-O6, CS-T-41737, A10786, C020491, 4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacid, 50-62-4,

Complexity	487
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.032g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	284.223g/mol
Monoisotopic Mass	284.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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