AG003NXR

4431-00-9 | Aurintricarboxylic acid

AG003NXR

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	4431-00-9
Catalog Number	AG003NXR(AGN-PC-0RSLHP)
Chemical Name	Aurintricarboxylic acid
EC Number	224-628-1
IUPAC Name	5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid
InChI	InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
InChI Key	GIXWDMTZECRIJT-UHFFFAOYSA-N
MDL Number	MFCD00011663
Molecular Formula	C22H14O9
Molecular Weight	422.3412
SMILES	C(=O)(O)C1=CC(C=CC1=O)=C(C=1C=CC(=C(C(=O)O)C1)O)C=1C=CC(=C(C(=O)O)C1)O
Synonyms	Acid, Aurin Tricarboxylic, Acid, Aurintricarboxylic, Aluminon, Ammonium Aurintricarboxylate, Aurin Tricarboxylic Acid, Aurintricarboxylate, Aurintricarboxylic Acid, Aurintricarboxylic Acid, Calcium (1:3) Salt, Aurintricarboxylic Acid, Calcium (2:3) Salt, Aurintricarboxylic Acid, Triammonium Salt, Aurintricarboxylic Acid, Trisodium Salt, aurintricarboxylic acid, 4431-00-9, Aluminon free acid, Aluminon, aurin tricarboxylic acid, NSC 4056, EINECS 224-628-1, MFCD00011663, BRN 2228904, 5,5'-((3-Carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene)bis(2-hydroxybenzoic acid), MLS002153482, CHEBI:87397, 5,5'-(3-Carboxy-4-oxocyclohexa-2,5-dienylidenemethylene)di(salicylic acid), Benzoic acid, 5-((3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-2-hydroxy-, SMR000326731, 1,4-Cyclohexadiene-1-carboxylic acid, 3-(bis(3-carboxy-4-hydroxyphenyl)methylene)-6-oxo-, Benzoic acid, 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-, 1,4-Cyclohexadiene-1-carboxylic acid, 3-[bis(3-carboxy-4-hydroxyphenyl)methylene]-6-oxo-, 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid), 5-[(3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxocyclohexa-2,5-dienylidene)methyl ]-2-hydroxybenzoic acid, 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoic acid, NSC643698, SR-01000075661, Benzoic acid, 3,3'-((3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene)bis(6-hydroxy-, Benzoic acid, 3,3'-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis[6-hydroxy-, Dupont ATA, Lopac-A-1895, chrome violet CG free acid, AC1L1DA3, AURINTRICARBOXYLICACID, cid_2259, Lopac0_000054, SCHEMBL98495, 4-10-00-04161 (Beilstein Handbook Reference), SPECTRUM1505163, CHEMBL275938, DTXSID9063453, BDBM60996, CTK7I5976, GIXWDMTZECRIJT-UHFFFAOYSA-N, HMS3260K09, KS-00000US4, ZINC3833863, Tox21_500054, GL9736, SBB005410, AKOS015969706, CCG-204149, LP00054, MCULE-4200379590, Dupont DA 639 (SD-095345), NCGC00015040-01, NCGC00015040-02, NCGC00015040-03, NCGC00015040-04, NCGC00015040-05, NCGC00015040-06, NCGC00093568-01, NCGC00096052-01, NCGC00096052-02, NCGC00260739-01, LS-56254, O147, SC-88716, ST057219, EU-0100054, FT-0622509, A 1895, EN300-226544, SR-01000075661-1, SR-01000075661-7, I04-13102, Aurintricarboxylic acid, practical grade, >=85% (titration), powder, 5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid, 5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoic acid, 5-[(3-carboxy-4-hydroxyphenyl)-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-hydroxybenzoic acid, 5-[(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid, Benzoic acid, 5-[(3-carboxy-4-hydroxyphenyl) (3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-, aurintricarboxylate, Acid, Aurintricarboxylic, Acid, Aurin Tricarboxylic, Ammonium aurintricarboxylate, C22H14O9, CID2259, Aurintricarboxylic Acid, Trisodium Salt, C22-H14-O9, Aurintricarboxylic Acid, Triammonium Salt, Aurintricarboxylic Acid, Calcium (1:3) Salt, Aurintricarboxylic Acid, Calcium (2:3) Salt, ATA, D001312,

Complexity	841
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	422.064g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	422.345g/mol
Monoisotopic Mass	422.064g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	169A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

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