AG003FL5

4664-00-0 | 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione

AG003FL5

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CAS Number	4664-00-0
Catalog Number	AG003FL5(AGN-PC-0JLATS)
Chemical Name	5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione
EC Number	225-107-1
IUPAC Name	pyrrolo[3,4-b]pyridine-5,7-dione
InChI	InChI=1S/C7H4N2O2/c10-6-4-2-1-3-8-5(4)7(11)9-6/h1-3H,(H,9,10,11)
InChI Key	ZRKGTINFVOLLNT-UHFFFAOYSA-N
MDL Number	MFCD00023018
Molecular Formula	C7H4N2O2
Molecular Weight	148.1189
NSC Number	405554
SMILES	O=C1NC(C2=NC=CC=C21)=O
UNII	EL02DAU9PG
Synonyms	2,3-PyDCA, 2,3-pyridinedicarboximide, 4664-00-0, 2,3-Pyridinedicarboximide, 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, Quinolinimide, Quinolinic acid imide, pyrrolo[3,4-b]pyridine-5,7-dione, Pyridine-2,3-dicarboximide, 3-Azaphthalimid [German], NSC 405554, EINECS 225-107-1, UNII-EL02DAU9PG, 5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione, EL02DAU9PG, BRN 0125055, pyrrolo[3,4-b]pyridin-5,7-dione, NSC405554, 3-Azaphthalimid, 5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione, PubChem8817, AC1L2IRH, AC1Q6G6K, NCIOpen2_003687, Oprea1_241203, SCHEMBL43437, 5-24-07-00450 (Beilstein Handbook Reference), 5H-Pyrrolo[3,7(6H)-dione, CTK7H5631, DTXSID40196890, ZRKGTINFVOLLNT-UHFFFAOYSA-N, ZINC334954, ACN-S003190, ALBB-026495, KS-00000C7P, ANW-61401, CL0350, MFCD00023018, RW3716, SBB086573, AKOS000282144, AB01342, AC-7150, AN-9293, CS-W006907, MCULE-2343377944, NSC-405554, QC-3175, RP21194, 6H-azolino[3,4-b]pyridine-5,7-dione, AJ-19698, AS-45945, EN003008, SC-04719, SY004282, ZB010764, AB0069727, LS-131168, ST2412142, TC-150146, 4CH-016544, AM20051208, FT-0635387, EN300-51922, A19478, K-9091, MFCD00023018 (97+%), 664Q000, AE-641/00577009, 5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione (9CI), Z275364976, Pyridinedicarboxamide, 2,3-Pyridinedicarboxamide, 2,3-Pyridinecarboximide, 3,4-Pyridinedicarboximide, C7H4N2O2, C7-H4-N2-O2, CID72829, ACN-025152,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.027g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	148.121g/mol
Monoisotopic Mass	148.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	59.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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