AG003LS5

1128-44-5 | 4-Methylindoline-2,3-dione

AG003LS5

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CAS Number	1128-44-5
Catalog Number	AG003LS5(AGN-PC-0JTAL8)
Chemical Name	4-Methylindoline-2,3-dione
IUPAC Name	4-methyl-1H-indole-2,3-dione
InChI	InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)8(11)9(12)10-6/h2-4H,1H3,(H,10,11,12)
InChI Key	KDICASSDSSYKMK-UHFFFAOYSA-N
MDL Number	MFCD00463404
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=C1c2c(NC1=O)cccc2C
Synonyms	4-Methylisatin, 1128-44-5, 4-Methyl-1H-indole-2,3-dione, 4-Methylindoline-2,3-dione, 1H-Indole-2,3-dione, 4-methyl-, 1h-indole-2,3-dione,4-methyl-, KDICASSDSSYKMK-UHFFFAOYSA-N, 4-methyl-1H-benzo[d]azoline-2,3-dione, Indole-2,3-dione, 4-methyl-, p-Methylisatin, 4-Methylisatine, AC1LBJPM, 4-Methylindole-2,3-dione, AC1Q6JG9, SCHEMBL2136384, CTK4A7996, ALBB-014229, BCP09720, KS-00000C8E, ZINC2473580, ZX-AN012959, 4-Methyl-1H-indole-2,3-dione #, ANW-67698, FCH841366, MFCD00463404, SBB066733, AKOS001484988, MCULE-1532634470, TRA0065002, AC-24985, AJ-35916, AK-83251, AS-31746, CJ-08432, SC-61092, SY015146, AB0063939, AX8237208, DB-023592, TX-012062, 4-methyl-2,3-dihydro-1H-indole-2,3-dione, BB 0262359, CS-0088455, EU-0068597, FT-0656818, ST50978674, Z7397, K-0974, MFCD00463404 (97+%), A802672, SR-01000403975, I10-0334, SR-01000403975-1, 6-Methylisatin, C9H7NO2, N-Methylindole-5-boronic acid, 6-methyl-1H-indole-2,3-dione, C9-H7-N-O2, 1H-Indole-2,3-dione, 6-methyl-, INDOLE-2,3-DIONE, 6-METHYL-, 1-methyl-1H-indol-5-ylboronic acid, AR-1G3639, CID583906, BRN 0129704, A15342, 5-21-11-00178 (Beilstein Handbook Reference), 113110-45-5, 192182-55-1, N/A,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number