AG00235T

18184-75-3 | 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(phenylmethyl)-

AG00235T

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CAS Number	18184-75-3
Catalog Number	AG00235T(AGN-PC-0JPAT6)
Chemical Name	5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(phenylmethyl)-
EC Number	605-952-6
IUPAC Name	6-benzylpyrrolo[3,4-b]pyridine-5,7-dione
InChI	InChI=1S/C14H10N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2
InChI Key	DWUBVULEMQOCPO-UHFFFAOYSA-N
MDL Number	MFCD02930145
Molecular Formula	C14H10N2O2
Molecular Weight	238.2414
NSC Number	151664
SMILES	C(C1=CC=CC=C1)N1C(C2=NC=CC=C2C1=O)=O
Synonyms	18184-75-3, 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine, 6-benzyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-benzylpyrrolo[3,4-b]pyridine-5,7-dione, 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(phenylmethyl)-, N-benzyl-2,3-pyridinedicarboximide, AK-39928, AR-011/11968809, NSC151664, PubChem12051, AC1L6BTN, AC1Q6K9B, Oprea1_804410, KSC498E2H, MLS000118304, SCHEMBL701413, CHEMBL231571, CTK3J8223, DTXSID10302502, DWUBVULEMQOCPO-UHFFFAOYSA-N, HMS2250D10, ZINC337931, KS-00000FD6, 9527AA, ANW-59275, SBB098933, AKOS005259560, AC-5338, CB-3570, CCG-133315, FCH2714664, NSC-151664, RL02319, RTX-012172, ACM18184753, AJ-19885, AN-11101, CJ-02978, DS-13130, QC-10783, SC-48725, SMR000095246, SY007189, 6-benzylazolino[3,4-b]pyridine-5,7-dione, AB0048002, AB1000900, AX8108244, 4CH-004913, FT-0084644, FT-0660303, ST24045123, EC-000.1108, MFCD02930145 (95%), S-7922, 5H-Pyrrolo[3,7(6H)-dione, 6-(phenylmethyl)-, 184B753, SR-01000132110, J-011639, J-518269, SR-01000132110-1, 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridi, 6-benzyl-5h-pyrrolo[3,4-b]pyridine-5,7 (6h)-dione, I14-15412, 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3.4-b]pyridine, 6-benzyl-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione, null, C14H10N2O2, AR-1H1013, CID289502, 6-benzyl-6H-pyrrolo[3,4-b]pyridine-5,7-dione, 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo [3,4-b]pyridine, 117140-77-9, 1825-64-5,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.074g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.246g/mol
Monoisotopic Mass	238.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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