AG003N38

1076198-93-0 | 6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine

AG003N38

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CAS Number	1076198-93-0
Catalog Number	AG003N38(AGN-PC-05J2D5)
Chemical Name	6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine
IUPAC Name	6-benzyl-1,2,3,4-tetrahydropyrrolo[3,4-b]pyridine-5,7-dione
InChI	InChI=1S/C14H14N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,15H,4,7-9H2
InChI Key	JJFNYKMZELJLBL-UHFFFAOYSA-N
MDL Number	MFCD09907821
Molecular Formula	C14H14N2O2
Molecular Weight	242.2732
SMILES	O=C1N(CC2=CC=CC=C2)C(C3=C1CCCN3)=O
Synonyms	1076198-93-0, 6-BENZYL-1,2,3,4-TETRAHYDRO-6H-PYRROLO[3,4-B]PYRIDINE-5,7-DIONE, 6-Benzyl-3,4-dihydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, 6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine, 6-Benzyl-1,2,3,4-tetrahydro-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 3,4-DIHYDRO-6-(PHENYLMETHYL)-1H-PYRROLO[3,4-B]PYRIDINE-5,7(2H,6H)-DIONE, SCHEMBL15825534, CTK7H1546, DTXSID70652454, KS-00000E6J, 6426AJ, MFCD09907821, ZINC22050703, AKOS015950516, AKOS025244071, FCH2827549, TRA0072355, AJ-80774, CS-11103, SY005506, AB1000496, RT-017119, TC-307978, FT-0662760, MFCD09907821 (95%), Z-3934, null, JJFNYKMZELJLBL-UHFFFAOYSA-N, C14H14N2O2, 55289-36-6,

Complexity	408
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.106g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.278g/mol
Monoisotopic Mass	242.106g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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