AG003KII

72909-34-3 | 4,5-DIOXO-4,5-DIHYDRO-1H-PYRROLO[2,3-F]QUINOLINE-2,7,9-TRICARBOXYLIC ACID

AG003KII

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CAS Number	72909-34-3
Catalog Number	AG003KII(AGN-PC-0JK5QF)
Chemical Name	4,5-DIOXO-4,5-DIHYDRO-1H-PYRROLO[2,3-F]QUINOLINE-2,7,9-TRICARBOXYLIC ACID
IUPAC Name	4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
InChI	InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
InChI Key	MMXZSJMASHPLLR-UHFFFAOYSA-N
MDL Number	MFCD00043125
Molecular Formula	C14H6N2O8
Molecular Weight	330.2060
SMILES	O=C(C(N1)=CC(C2=O)=C1C3=C(N=C(C(O)=O)C=C3C(O)=O)C2=O)O
UNII	47819QGH5L
Synonyms	2,7,9-Tricarboxy-1H-Pyrrolo-(2,3-f)Quinoline-4,5-Dione, 2,7,9-Tricarboxypyrroloquinoline Quinone, 4,5-Dihydro-4,5-Dioxo-1-H-Pyrrolo(2,3-f)Quinoline-2,7,9-Tricarboxylic Acid, Coenzyme PQQ, Coenzyme, PQQ, Cofactor, PQQ, Methoxatin, PQQ Coenzyme, PQQ Cofactor, PQQ, Coenzyme, Pyrrolo Quinoline Quinone, Pyrrolo-Quinoline Quinone, Pyrroloquinoline Quinone, Quinone, Pyrrolo-Quinoline, Quinone, Pyrroloquinoline, methoxatin, pyrroloquinoline quinone, 72909-34-3, 4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, Coenzyme pqq, Pyrrolo-quinoline quinone, UNII-47819QGH5L, Pyrroloquinoline-quinone, PQQ, CHEBI:18315, 47819QGH5L, 2,7,9-Tricarboxy-1H-pyrrolo(2,3-f)quinoline-4,5-dione, AK-76674, Pqq coenzyme, Pqq cofactor, 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-dioxo-1H,4H,5H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-Dihydro-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-Dihydro-4,5-dioxo-1H-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic acid, 1H-Pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, Pyrroloquinolinequinone, 4,5-Dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate, Methoxantin, Methoxatine, 2,7,9-Tricarboxypyrroloquinoline quinone, 1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 4,5-dihydro-4,5-dioxo-, 2,4,6-tricarboxylic-pyrrolo[2,3-5,6]quinoline 8,9-quinone, Pyrroloquinoline dione, 4,5-dihydro-4,5-dioxo-1H-pyrrolo[2,3-5,6]quinoline-2,7,9-tricarboxylic acid, AC1L1AK5, Pyrroloquinoline quinone/PQQ, SCHEMBL37975, Pyrroloquinoline quinone(PQQ), Pyrroloquinoline Quinone (PQQ), CHEMBL1235421, DTXSID3041162, CTK2H7228, KS-00000GJI, MMXZSJMASHPLLR-UHFFFAOYSA-N, BCP06301, ZINC1532545, ANW-49082, MFCD00043125, AKOS015920260, CS-W009276, DB03205, GS-6613, QC-4272, TRA0057611, VA11282, Pyrroloquinoline dione tricarboxylic acid, AJ-26780, AN-37373, BR-76674, CC-30276, SC-78377, AB0026456, AX8137727, TC-137827, 4CH-007443, A9450, FT-0617182, Pyrroloquinoline quinone, >=95.0% (HPLC), Pyrroloquinoline quinone, >=97.0% (HPLC), ST24028685, W8127, C00113, S-7393, 909M343, C-20007, 1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylicacid, 4,5-dihydro-4,5-dioxo-, Coenzyme, PQQ, Cofactor, PQQ, PQQ, Coenzyme, Quinone, Pyrroloquinoline, Pyrrolo Quinoline Quinone, Quinone, Pyrrolo-Quinoline, C14H6N2O8, CID1024, C14-H6-N2-O8, ACN-025893, Pyrroloquinoline quinone, 98% - 1MG 1mg, A13281, 3-AMINO-PYRIDINE-2-CARBOXYLIC ACID AMIDE, D045542, 2,7,9-Tricarboxy-1H-Pyrrolo-(2,3-f)Quinoline-4,5-Dione, 4,5-Dihydro-4,5-dioxo-1-H-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylic acid,

Complexity	647
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	330.012g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	330.208g/mol
Monoisotopic Mass	330.012g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	175A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number