AG000YC8

128740-13-6 | 1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, tetrahydro-6-(phenylmethyl)-

AG000YC8

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CAS Number	128740-13-6
Catalog Number	AG000YC8(AGN-PC-0PIUE3)
Chemical Name	1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, tetrahydro-6-(phenylmethyl)-
IUPAC Name	6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione
InChI	InChI=1S/C14H16N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2
InChI Key	RRBLNPCNHNHAFW-UHFFFAOYSA-N
MDL Number	MFCD06795495
Molecular Formula	C14H16N2O2
Molecular Weight	244.2890
SMILES	O=C1N(CC2=CC=CC=C2)C(C3C1CCCN3)=O
Synonyms	128740-13-6, 6-Benzyltetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(6H,7aH)-dione, 6-BENZYL-5,7-DIOXO-OCTAHYDROPYRROLO[3,4-B] PYRIDINE, 6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine-5,7-dione, 6-benzyltetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, EN300-27800, 6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine, ACMC-20ahm9, AC1Q6DWF, KSC497C1B, SCHEMBL1721914, CTK3J7110, DTXSID70432551, RRBLNPCNHNHAFW-UHFFFAOYSA-N, 5438AA, ANW-73759, MFCD06795495, SBB099872, AKOS015911582, FCH2710546, MCULE-3212141143, AK-24084, AN-32410, EN002566, AB0063905, AX8240515, RT-003530, FT-0084645, FT-0660304, 740B136, 6-Benzyloctahydropyrrolo[3,4-b]pyridine-5,7-dione, 6-benzyl -5,7-dioxo-octahydropyrrolo[3.4-b]pyridine, 6-benzyl-5,7-dioxo-octahydropyrrolo[3,4-b ]pyridine, 6-Benzyl-5,7-dioxo-octahydropyrrolo[3.4-b]pyridine, I14-37089, 6-BENZYL-5,7-DIOXO-OCTAHYDROPYRROLO[3,4-B]PYRIDINE, 2-benzyl-4,5,6,7,3a,7a-hexahydro-4-azaisoindole-1,3-dione, 6-benzyl-5,7-dioxo-octahydropyrrolo[3,4-b] pyridine, AldrichCPR, 6-benzyl-tetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(6H,7aH)-dione, 1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione,tetrahydro-6-(phenylmethyl)-, 6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione, 1H-Pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione, tetrahydro-6-(phenylmethyl)-, C14H16N2O2, CID9899604, 6-Benzyl-5,7-dioxo-hexahydropyrrolo[3,4-b]pyridine, AR-011/42531514, 1076198-93-0,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.294g/mol
Monoisotopic Mass	244.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number